AB59008
31842-01-0 | Indoprofen
Manufacturer: A2B Chem
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CatalogNumber
AB59008
ChemicalName
Indoprofen
CasNumber
31842-01-0
MolecularFormula
C17H15NO3
MolecularWeight
281.3059
MdlNumber
MFCD00057144
Smiles
OC(=O)C(c1ccc(cc1)N1Cc2c(C1=O)cccc2)C
NscNumber
757065
Complexity
414
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
2.8
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CatalogNumber: AB59008
ChemicalName: Indoprofen
CasNumber: 31842-01-0
MolecularFormula: C17H15NO3
MolecularWeight: 281.3059
MdlNumber: MFCD00057144
Smiles: OC(=O)C(c1ccc(cc1)N1Cc2c(C1=O)cccc2)C
NscNumber: 757065
Complexity: 414
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.8
CatalogNumber:
AB59008
ChemicalName:
Indoprofen
CasNumber:
31842-01-0
MolecularFormula:
C17H15NO3
MolecularWeight:
281.3059
MdlNumber:
MFCD00057144
Smiles:
OC(=O)C(c1ccc(cc1)N1Cc2c(C1=O)cccc2)C
NscNumber:
757065
Complexity:
414
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.8
CatalogNumber: AB59009
ChemicalName: 2-[4-(Ethanesulfonyl)phenyl]acetic acid
CasNumber: 383135-47-5
MolecularFormula: C10H12O4S
MolecularWeight: 228.2649
MdlNumber: MFCD02664818
Smiles: CCS(=O)(=O)c1ccc(cc1)CC(=O)O
NscNumber: __
Complexity: 307
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
UndefinedAtomStereocenterCount: __
Xlogp3: 1.7
CatalogNumber:
AB59009
ChemicalName:
2-[4-(Ethanesulfonyl)phenyl]acetic acid
CasNumber:
383135-47-5
MolecularFormula:
C10H12O4S
MolecularWeight:
228.2649
MdlNumber:
MFCD02664818
Smiles:
CCS(=O)(=O)c1ccc(cc1)CC(=O)O
NscNumber:
__
Complexity:
307
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC1(C)COC(=N1)c1ccc2c(n1)cccc2
NscNumber: __
Complexity: 324
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 2.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC1(C)COC(=N1)c1ccc2c(n1)cccc2
NscNumber:
__
Complexity:
324
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.6
CatalogNumber: AB59011
ChemicalName: 4,4-Dimethylcyclohexa-1,5-dienylboronic acid pinacol ester
CasNumber: 871333-97-0
MolecularFormula: C14H23BO2
MolecularWeight: 234.1422
MdlNumber: MFCD07363842
Smiles: CC1(C)CC=C(C=C1)B1OC(C(O1)(C)C)(C)C
NscNumber: __
Complexity: 362
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 1
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
AB59011
ChemicalName:
4,4-Dimethylcyclohexa-1,5-dienylboronic acid pinacol ester
CasNumber:
871333-97-0
MolecularFormula:
C14H23BO2
MolecularWeight:
234.1422
MdlNumber:
MFCD07363842
Smiles:
CC1(C)CC=C(C=C1)B1OC(C(O1)(C)C)(C)C
NscNumber:
__
Complexity:
362
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
__
Xlogp3:
__