AI40180
1820603-74-4 | 3-(2-Nitrophenylamino)-3-phenylpropan-1-ol
Manufacturer: A2B Chem
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CatalogNumber
AI40180
ChemicalName
3-(2-Nitrophenylamino)-3-phenylpropan-1-ol
CasNumber
1820603-74-4
MolecularFormula
C15H16N2O3
MolecularWeight
272.2991
MdlNumber
MFCD27981297
Smiles
OCCC(c1ccccc1)Nc1ccccc1[N+](=O)[O-]
Complexity
300
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
5
UndefinedAtomStereocenterCount
1
Xlogp3
3.5
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CatalogNumber: AI40180
ChemicalName: 3-(2-Nitrophenylamino)-3-phenylpropan-1-ol
CasNumber: 1820603-74-4
MolecularFormula: C15H16N2O3
MolecularWeight: 272.2991
MdlNumber: MFCD27981297
Smiles: OCCC(c1ccccc1)Nc1ccccc1[N+](=O)[O-]
Complexity: 300
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 1
Xlogp3: 3.5
CatalogNumber:
AI40180
ChemicalName:
3-(2-Nitrophenylamino)-3-phenylpropan-1-ol
CasNumber:
1820603-74-4
MolecularFormula:
C15H16N2O3
MolecularWeight:
272.2991
MdlNumber:
MFCD27981297
Smiles:
OCCC(c1ccccc1)Nc1ccccc1[N+](=O)[O-]
Complexity:
300
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
1
Xlogp3:
3.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#Cc1cc2nc(oc2cc1F)N
Complexity: 251
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 1.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#Cc1cc2nc(oc2cc1F)N
Complexity:
251
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C1C2=C(CN1)N(N=C2)C3=CC=CC=N3.C(=O)(C(F)(F)F)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C1C2=C(CN1)N(N=C2)C3=CC=CC=N3.C(=O)(C(F)(F)F)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AI40183
ChemicalName: N-(2-Butylaminoethyl)-4-nitroaniline
CasNumber: 1820603-79-9
MolecularFormula: C12H19N3O2
MolecularWeight: 237.2982
MdlNumber: MFCD28252208
Smiles: CCCCNCCNc1ccc(cc1)[N+](=O)[O-]
Complexity: 210
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 7
UndefinedAtomStereocenterCount: __
Xlogp3: 2.6
CatalogNumber:
AI40183
ChemicalName:
N-(2-Butylaminoethyl)-4-nitroaniline
CasNumber:
1820603-79-9
MolecularFormula:
C12H19N3O2
MolecularWeight:
237.2982
MdlNumber:
MFCD28252208
Smiles:
CCCCNCCNc1ccc(cc1)[N+](=O)[O-]
Complexity:
210
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
7
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.6