AB56494
37182-75-5 | 1-(3-Carboxyphenyl)-2-thiourea
Manufacturer: A2B Chem
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CatalogNumber
AB56494
ChemicalName
1-(3-Carboxyphenyl)-2-thiourea
CasNumber
37182-75-5
MolecularFormula
C8H8N2O2S
MolecularWeight
196.2263
MdlNumber
MFCD00060450
Smiles
NC(=S)Nc1cccc(c1)C(=O)O
Complexity
220
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
3
RotatableBondCount
2
Xlogp3
1.3
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CatalogNumber: AB56494
ChemicalName: 1-(3-Carboxyphenyl)-2-thiourea
CasNumber: 37182-75-5
MolecularFormula: C8H8N2O2S
MolecularWeight: 196.2263
MdlNumber: MFCD00060450
Smiles: NC(=S)Nc1cccc(c1)C(=O)O
Complexity: 220
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 3
RotatableBondCount: 2
Xlogp3: 1.3
CatalogNumber:
AB56494
ChemicalName:
1-(3-Carboxyphenyl)-2-thiourea
CasNumber:
37182-75-5
MolecularFormula:
C8H8N2O2S
MolecularWeight:
196.2263
MdlNumber:
MFCD00060450
Smiles:
NC(=S)Nc1cccc(c1)C(=O)O
Complexity:
220
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
3
RotatableBondCount:
2
Xlogp3:
1.3
CatalogNumber: AB56495
ChemicalName: 1-(3-Chloropyridin-2-yl)piperazine
CasNumber: 87394-55-6
MolecularFormula: C9H12ClN3
MolecularWeight: 197.6647
MdlNumber: MFCD08061034
Smiles: Clc1cccnc1N1CCNCC1
Complexity: 159
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.3
CatalogNumber:
AB56495
ChemicalName:
1-(3-Chloropyridin-2-yl)piperazine
CasNumber:
87394-55-6
MolecularFormula:
C9H12ClN3
MolecularWeight:
197.6647
MdlNumber:
MFCD08061034
Smiles:
Clc1cccnc1N1CCNCC1
Complexity:
159
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.3
CatalogNumber: AB56496
ChemicalName: 1-(3-Chloro-4-fluorophenyl)piperidine
CasNumber: 1033201-89-6
MolecularFormula: C11H13ClFN
MolecularWeight: 213.679
MdlNumber: MFCD10699654
Smiles: Fc1ccc(cc1Cl)N1CCCCC1
Complexity: 182
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 3.7
CatalogNumber:
AB56496
ChemicalName:
1-(3-Chloro-4-fluorophenyl)piperidine
CasNumber:
1033201-89-6
MolecularFormula:
C11H13ClFN
MolecularWeight:
213.679
MdlNumber:
MFCD10699654
Smiles:
Fc1ccc(cc1Cl)N1CCCCC1
Complexity:
182
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
3.7
CatalogNumber: AB56497
ChemicalName: 1-(3-Chlorobenzyl)-1,2,3,4-tetrahydroquinoxaline dihydrochloride
CasNumber: 939760-06-2
MolecularFormula: C15H15ClN2
MolecularWeight: 258.746
MdlNumber: MFCD08544484
Smiles: Clc1cccc(c1)CN1CCNc2c1cccc2
Complexity: 271
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.9
CatalogNumber:
AB56497
ChemicalName:
1-(3-Chlorobenzyl)-1,2,3,4-tetrahydroquinoxaline dihydrochloride
CasNumber:
939760-06-2
MolecularFormula:
C15H15ClN2
MolecularWeight:
258.746
MdlNumber:
MFCD08544484
Smiles:
Clc1cccc(c1)CN1CCNc2c1cccc2
Complexity:
271
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.9