AB46155
41340-25-4 | 2-{1,8-diethyl-1H,3H,4H,9H-pyrano[3,4-b]indol-1-yl}acetic acid
Manufacturer: A2B Chem
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CatalogNumber
AB46155
ChemicalName
2-{1,8-diethyl-1H,3H,4H,9H-pyrano[3,4-b]indol-1-yl}acetic acid
CasNumber
41340-25-4
MolecularFormula
C17H21NO3
MolecularWeight
287.3535
MdlNumber
MFCD03427612
Smiles
CCC1(OCCc2c1[nH]c1c2cccc1CC)CC(=O)O
Complexity
400
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
Xlogp3
2.8
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CatalogNumber: AB46155
ChemicalName: 2-{1,8-diethyl-1H,3H,4H,9H-pyrano[3,4-b]indol-1-yl}acetic acid
CasNumber: 41340-25-4
MolecularFormula: C17H21NO3
MolecularWeight: 287.3535
MdlNumber: MFCD03427612
Smiles: CCC1(OCCc2c1[nH]c1c2cccc1CC)CC(=O)O
Complexity: 400
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.8
CatalogNumber:
AB46155
ChemicalName:
2-{1,8-diethyl-1H,3H,4H,9H-pyrano[3,4-b]indol-1-yl}acetic acid
CasNumber:
41340-25-4
MolecularFormula:
C17H21NO3
MolecularWeight:
287.3535
MdlNumber:
MFCD03427612
Smiles:
CCC1(OCCc2c1[nH]c1c2cccc1CC)CC(=O)O
Complexity:
400
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.8
CatalogNumber: AB46156
ChemicalName: 5-Hydroxy-7-methoxy-2-methyl-4h-chromen-4-one
CasNumber: 480-34-2
MolecularFormula: C11H10O4
MolecularWeight: 206.1947
MdlNumber: MFCD03001454
Smiles: COc1cc(O)c2c(c1)oc(cc2=O)C
Complexity: 297
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
UndefinedAtomStereocenterCount: __
Xlogp3: 1.2
CatalogNumber:
AB46156
ChemicalName:
5-Hydroxy-7-methoxy-2-methyl-4h-chromen-4-one
CasNumber:
480-34-2
MolecularFormula:
C11H10O4
MolecularWeight:
206.1947
MdlNumber:
MFCD03001454
Smiles:
COc1cc(O)c2c(c1)oc(cc2=O)C
Complexity:
297
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)C1=C(C)NC(=C(C1c1cccc(c1Cl)Cl)C(=O)OC)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)C1=C(C)NC(=C(C1c1cccc(c1Cl)Cl)C(=O)OC)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C1CCCC1.O=CC1CCCC1.[Fe]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C1CCCC1.O=CC1CCCC1.[Fe]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__