AI57351
855198-83-3 | 4-(Cyclopentylsulfanyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AI57351
ChemicalName
4-(Cyclopentylsulfanyl)benzoic acid
CasNumber
855198-83-3
MolecularFormula
C12H14O2S
MolecularWeight
222.3034
MdlNumber
MFCD09738409
Smiles
OC(=O)c1ccc(cc1)SC1CCCC1
Complexity
216
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3.2
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CatalogNumber: AI57351
ChemicalName: 4-(Cyclopentylsulfanyl)benzoic acid
CasNumber: 855198-83-3
MolecularFormula: C12H14O2S
MolecularWeight: 222.3034
MdlNumber: MFCD09738409
Smiles: OC(=O)c1ccc(cc1)SC1CCCC1
Complexity: 216
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.2
CatalogNumber:
AI57351
ChemicalName:
4-(Cyclopentylsulfanyl)benzoic acid
CasNumber:
855198-83-3
MolecularFormula:
C12H14O2S
MolecularWeight:
222.3034
MdlNumber:
MFCD09738409
Smiles:
OC(=O)c1ccc(cc1)SC1CCCC1
Complexity:
216
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.2
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
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Smiles: C1=CC(=CC(=C1)Cl)C2=C(C=CC(=C2)Cl)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
C1=CC(=CC(=C1)Cl)C2=C(C=CC(=C2)Cl)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: CC1=CC(=C(C=C1)C2=CC=CC=C2OC)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
CC1=CC(=C(C=C1)C2=CC=CC=C2OC)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: CCCNC(=O)c1ccc(cc1)C#N
Complexity: __
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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:
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MdlNumber:
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Smiles:
CCCNC(=O)c1ccc(cc1)C#N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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