AI00476
98088-04-1 | 2-(Pyrrolidin-1-yl)pyridine-4-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AI00476
ChemicalName
2-(Pyrrolidin-1-yl)pyridine-4-carboxylic acid
CasNumber
98088-04-1
MolecularFormula
C10H12N2O2
MolecularWeight
192.2145
MdlNumber
MFCD08690285
Smiles
OC(=O)c1ccnc(c1)N1CCCC1
Complexity
214
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.3
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CatalogNumber: AI00476
ChemicalName: 2-(Pyrrolidin-1-yl)pyridine-4-carboxylic acid
CasNumber: 98088-04-1
MolecularFormula: C10H12N2O2
MolecularWeight: 192.2145
MdlNumber: MFCD08690285
Smiles: OC(=O)c1ccnc(c1)N1CCCC1
Complexity: 214
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.3
CatalogNumber:
AI00476
ChemicalName:
2-(Pyrrolidin-1-yl)pyridine-4-carboxylic acid
CasNumber:
98088-04-1
MolecularFormula:
C10H12N2O2
MolecularWeight:
192.2145
MdlNumber:
MFCD08690285
Smiles:
OC(=O)c1ccnc(c1)N1CCCC1
Complexity:
214
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.3
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Smiles: CNc1n[nH]c2c1cc(Cl)cc2
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CNc1n[nH]c2c1cc(Cl)cc2
Complexity:
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RotatableBondCount:
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Smiles: CSCCC(C(=O)O)OC
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Smiles:
CSCCC(C(=O)O)OC
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: Nc1ccccc1C(=O)c1ccccc1[N+](=O)[O-]
Complexity: __
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Smiles:
Nc1ccccc1C(=O)c1ccccc1[N+](=O)[O-]
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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