AF87735
320406-01-7 | 4-(t-Butylamino)-3-nitrobenzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AF87735
ChemicalName
4-(t-Butylamino)-3-nitrobenzonitrile
CasNumber
320406-01-7
MolecularFormula
C11H13N3O2
MolecularWeight
219.2398
MdlNumber
MFCD03551828
Smiles
N#Cc1ccc(c(c1)[N+](=O)[O-])NC(C)(C)C
Complexity
307
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3.1
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CatalogNumber: AF87735
ChemicalName: 4-(t-Butylamino)-3-nitrobenzonitrile
CasNumber: 320406-01-7
MolecularFormula: C11H13N3O2
MolecularWeight: 219.2398
MdlNumber: MFCD03551828
Smiles: N#Cc1ccc(c(c1)[N+](=O)[O-])NC(C)(C)C
Complexity: 307
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.1
CatalogNumber:
AF87735
ChemicalName:
4-(t-Butylamino)-3-nitrobenzonitrile
CasNumber:
320406-01-7
MolecularFormula:
C11H13N3O2
MolecularWeight:
219.2398
MdlNumber:
MFCD03551828
Smiles:
N#Cc1ccc(c(c1)[N+](=O)[O-])NC(C)(C)C
Complexity:
307
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.1
CatalogNumber: AF87736
ChemicalName: 3-(Cyclohexylsulfamoyl)benzoic acid
CasNumber: 313346-39-3
MolecularFormula: C13H17NO4S
MolecularWeight: 283.3434
MdlNumber: MFCD03469182
Smiles: OC(=O)c1cccc(c1)S(=O)(=O)NC1CCCCC1
Complexity: 409
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: 2.2
CatalogNumber:
AF87736
ChemicalName:
3-(Cyclohexylsulfamoyl)benzoic acid
CasNumber:
313346-39-3
MolecularFormula:
C13H17NO4S
MolecularWeight:
283.3434
MdlNumber:
MFCD03469182
Smiles:
OC(=O)c1cccc(c1)S(=O)(=O)NC1CCCCC1
Complexity:
409
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1ccccc1c1ccc(cc1)OCc1ccccc1
Complexity: 292
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 4.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1ccccc1c1ccc(cc1)OCc1ccccc1
Complexity:
292
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
4.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1ccc(cc1)NC(=O)c1ccccc1
Complexity: 315
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1ccc(cc1)NC(=O)c1ccccc1
Complexity:
315
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.4