AD30147
438554-06-4 | 3-Nitro-4-(propylamino)benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AD30147
ChemicalName
3-Nitro-4-(propylamino)benzonitrile
CasNumber
438554-06-4
MolecularFormula
C10H11N3O2
MolecularWeight
205.2132
MdlNumber
MFCD12188574
Smiles
CCCNc1ccc(cc1[N+](=O)[O-])C#N
Complexity
266
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3
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CatalogNumber: AD30147
ChemicalName: 3-Nitro-4-(propylamino)benzonitrile
CasNumber: 438554-06-4
MolecularFormula: C10H11N3O2
MolecularWeight: 205.2132
MdlNumber: MFCD12188574
Smiles: CCCNc1ccc(cc1[N+](=O)[O-])C#N
Complexity: 266
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3
CatalogNumber:
AD30147
ChemicalName:
3-Nitro-4-(propylamino)benzonitrile
CasNumber:
438554-06-4
MolecularFormula:
C10H11N3O2
MolecularWeight:
205.2132
MdlNumber:
MFCD12188574
Smiles:
CCCNc1ccc(cc1[N+](=O)[O-])C#N
Complexity:
266
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
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Smiles: NNC(=O)C1CCC(CC1)C(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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CasNumber:
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Smiles:
NNC(=O)C1CCC(CC1)C(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
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Smiles: O=C(C(Cl)C)NC1=NCCS1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
O=C(C(Cl)C)NC1=NCCS1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)CC1O[C@]31[C@H]2CCC1=CC(=O)CC[C@]31C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)CC1O[C@]31[C@H]2CCC1=CC(=O)CC[C@]31C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__