AC61190
68230-59-1 | 10H-Phenothiazine-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AC61190
ChemicalName
10H-Phenothiazine-3-carboxylic acid
CasNumber
68230-59-1
MolecularFormula
C13H9NO2S
MolecularWeight
243.2811
MdlNumber
MFCD18447863
Smiles
OC(=O)c1ccc2c(c1)Sc1c(N2)cccc1
NscNumber
158946
Complexity
310
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
3.7
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CatalogNumber: AC61190
ChemicalName: 10H-Phenothiazine-3-carboxylic acid
CasNumber: 68230-59-1
MolecularFormula: C13H9NO2S
MolecularWeight: 243.2811
MdlNumber: MFCD18447863
Smiles: OC(=O)c1ccc2c(c1)Sc1c(N2)cccc1
NscNumber: 158946
Complexity: 310
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 3.7
CatalogNumber:
AC61190
ChemicalName:
10H-Phenothiazine-3-carboxylic acid
CasNumber:
68230-59-1
MolecularFormula:
C13H9NO2S
MolecularWeight:
243.2811
MdlNumber:
MFCD18447863
Smiles:
OC(=O)c1ccc2c(c1)Sc1c(N2)cccc1
NscNumber:
158946
Complexity:
310
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
3.7
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Smiles: N#CCCN(c1ccc(cc1)N=Nc1ccc(cc1OC)N=Nc1cccc(c1)S(=O)(=O)O)CC
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N#CCCN(c1ccc(cc1)N=Nc1ccc(cc1OC)N=Nc1cccc(c1)S(=O)(=O)O)CC
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Smiles: CCCCCCC1C=CC(CC1C(=O)O)CCCCCCCC(=O)[O-].[K+]
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Smiles:
CCCCCCC1C=CC(CC1C(=O)O)CCCCCCCC(=O)[O-].[K+]
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