AD37006
387350-41-6 | 6-(2-Pyrrolidin-1-ylethyl)nicotinic acid
Manufacturer: A2B Chem
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CatalogNumber
AD37006
ChemicalName
6-(2-Pyrrolidin-1-ylethyl)nicotinic acid
CasNumber
387350-41-6
MolecularFormula
C12H16N2O2
MolecularWeight
220.2676
MdlNumber
MFCD01319352
Smiles
OC(=O)c1ccc(nc1)CCN1CCCC1
Complexity
239
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
-1.1
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CatalogNumber: AD37006
ChemicalName: 6-(2-Pyrrolidin-1-ylethyl)nicotinic acid
CasNumber: 387350-41-6
MolecularFormula: C12H16N2O2
MolecularWeight: 220.2676
MdlNumber: MFCD01319352
Smiles: OC(=O)c1ccc(nc1)CCN1CCCC1
Complexity: 239
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: -1.1
CatalogNumber:
AD37006
ChemicalName:
6-(2-Pyrrolidin-1-ylethyl)nicotinic acid
CasNumber:
387350-41-6
MolecularFormula:
C12H16N2O2
MolecularWeight:
220.2676
MdlNumber:
MFCD01319352
Smiles:
OC(=O)c1ccc(nc1)CCN1CCCC1
Complexity:
239
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
-1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1ccc(cc1)N1C(=S)SCC1=O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
Fc1ccc(cc1)N1C(=S)SCC1=O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
CatalogNumber: AD37018
ChemicalName: 3-Chloro-4-nitrobenzoic acid
CasNumber: 39608-47-4
MolecularFormula: C7H4ClNO4
MolecularWeight: 201.56396000000004
MdlNumber: MFCD01632172
Smiles: OC(=O)c1ccc(c(c1)Cl)[N+](=O)[O-]
Complexity: 227
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2
CatalogNumber:
AD37018
ChemicalName:
3-Chloro-4-nitrobenzoic acid
CasNumber:
39608-47-4
MolecularFormula:
C7H4ClNO4
MolecularWeight:
201.56396000000004
MdlNumber:
MFCD01632172
Smiles:
OC(=O)c1ccc(c(c1)Cl)[N+](=O)[O-]
Complexity:
227
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(cc1)CC(=O)c1c(O)cc(cc1OC)OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(cc1)CC(=O)c1c(O)cc(cc1OC)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__