AB45171
1131-63-1 | 5,6,7,8-Tetrahydro-2-naphthoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB45171
ChemicalName
5,6,7,8-Tetrahydro-2-naphthoic acid
CasNumber
1131-63-1
MolecularFormula
C11H12O2
MolecularWeight
176.2118
MdlNumber
MFCD01861899
Smiles
OC(=O)c1ccc2c(c1)CCCC2
NscNumber
131342
Complexity
200
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.8
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CatalogNumber: AB45171
ChemicalName: 5,6,7,8-Tetrahydro-2-naphthoic acid
CasNumber: 1131-63-1
MolecularFormula: C11H12O2
MolecularWeight: 176.2118
MdlNumber: MFCD01861899
Smiles: OC(=O)c1ccc2c(c1)CCCC2
NscNumber: 131342
Complexity: 200
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.8
CatalogNumber:
AB45171
ChemicalName:
5,6,7,8-Tetrahydro-2-naphthoic acid
CasNumber:
1131-63-1
MolecularFormula:
C11H12O2
MolecularWeight:
176.2118
MdlNumber:
MFCD01861899
Smiles:
OC(=O)c1ccc2c(c1)CCCC2
NscNumber:
131342
Complexity:
200
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCn1c(N)c(N)c(=O)n(c1=O)CC
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCn1c(N)c(N)c(=O)n(c1=O)CC
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB45173
ChemicalName: 5,6-Diamino-1,3-dihydro-2h-benzoimidazol-2-one
CasNumber: 55621-49-3
MolecularFormula: C7H8N4O
MolecularWeight: 164.1646
MdlNumber: MFCD00994340
Smiles: Nc1cc2[nH]c(=O)[nH]c2cc1N
NscNumber: __
Complexity: 188
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 4
RotatableBondCount: __
Xlogp3: -0.8
CatalogNumber:
AB45173
ChemicalName:
5,6-Diamino-1,3-dihydro-2h-benzoimidazol-2-one
CasNumber:
55621-49-3
MolecularFormula:
C7H8N4O
MolecularWeight:
164.1646
MdlNumber:
MFCD00994340
Smiles:
Nc1cc2[nH]c(=O)[nH]c2cc1N
NscNumber:
__
Complexity:
188
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
4
RotatableBondCount:
__
Xlogp3:
-0.8
CatalogNumber: AB45174
ChemicalName: 5,6-Dichloronicotinic acid
CasNumber: 41667-95-2
MolecularFormula: C6H3Cl2NO2
MolecularWeight: 191.9995
MdlNumber: MFCD00075181
Smiles: OC(=O)c1cnc(c(c1)Cl)Cl
NscNumber: 63885
Complexity: 165
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2
CatalogNumber:
AB45174
ChemicalName:
5,6-Dichloronicotinic acid
CasNumber:
41667-95-2
MolecularFormula:
C6H3Cl2NO2
MolecularWeight:
191.9995
MdlNumber:
MFCD00075181
Smiles:
OC(=O)c1cnc(c(c1)Cl)Cl
NscNumber:
63885
Complexity:
165
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2