AV18332
105518-47-6 | 6-Carbamoyl-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AV18332
ChemicalName
6-Carbamoyl-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxylic acid
CasNumber
105518-47-6
MolecularFormula
C12H11N3O3
MolecularWeight
245.234
MdlNumber
MFCD30185067
Smiles
NC(=O)N1CCc2c1ccc1c2cc([nH]1)C(=O)O
Complexity
387
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
3
RotatableBondCount
1
Xlogp3
0.7
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CatalogNumber: AV18332
ChemicalName: 6-Carbamoyl-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxylic acid
CasNumber: 105518-47-6
MolecularFormula: C12H11N3O3
MolecularWeight: 245.234
MdlNumber: MFCD30185067
Smiles: NC(=O)N1CCc2c1ccc1c2cc([nH]1)C(=O)O
Complexity: 387
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 3
RotatableBondCount: 1
Xlogp3: 0.7
CatalogNumber:
AV18332
ChemicalName:
6-Carbamoyl-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxylic acid
CasNumber:
105518-47-6
MolecularFormula:
C12H11N3O3
MolecularWeight:
245.234
MdlNumber:
MFCD30185067
Smiles:
NC(=O)N1CCc2c1ccc1c2cc([nH]1)C(=O)O
Complexity:
387
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
3
RotatableBondCount:
1
Xlogp3:
0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N1C[C@]2([C@](C1)(F)CNC2=O)F)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1C[C@]2([C@](C1)(F)CNC2=O)F)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(c2c1cccc2)C(=O)C(F)(F)F
Complexity: 314
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(c2c1cccc2)C(=O)C(F)(F)F
Complexity:
314
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1cc(F)c(cc1Cl)O
Complexity: 186
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)c1cc(F)c(cc1Cl)O
Complexity:
186
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2