AA87002
112811-59-3 | Gatifloxacin
Manufacturer: A2B Chem
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CatalogNumber
AA87002
ChemicalName
Gatifloxacin
CasNumber
112811-59-3
MolecularFormula
C19H22FN3O4
MolecularWeight
375.3940831999999
MdlNumber
MFCD07368033
Smiles
COc1c(N2CCNC(C2)C)c(F)cc2c1n(cc(c2=O)C(=O)O)C1CC1
NscNumber
758701
Complexity
653
Covalently-bondedUnitCount
1
HeavyAtomCount
27
HydrogenBondAcceptorCount
8
HydrogenBondDonorCount
2
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
Xlogp3
-0.7
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CatalogNumber: AA87002
ChemicalName: Gatifloxacin
CasNumber: 112811-59-3
MolecularFormula: C19H22FN3O4
MolecularWeight: 375.3940831999999
MdlNumber: MFCD07368033
Smiles: COc1c(N2CCNC(C2)C)c(F)cc2c1n(cc(c2=O)C(=O)O)C1CC1
NscNumber: 758701
Complexity: 653
Covalently-bondedUnitCount: 1
HeavyAtomCount: 27
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 2
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: -0.7
CatalogNumber:
AA87002
ChemicalName:
Gatifloxacin
CasNumber:
112811-59-3
MolecularFormula:
C19H22FN3O4
MolecularWeight:
375.3940831999999
MdlNumber:
MFCD07368033
Smiles:
COc1c(N2CCNC(C2)C)c(F)cc2c1n(cc(c2=O)C(=O)O)C1CC1
NscNumber:
758701
Complexity:
653
Covalently-bondedUnitCount:
1
HeavyAtomCount:
27
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
2
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
-0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=c1ccn2c(n1)cccc2
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=c1ccn2c(n1)cccc2
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=c1[nH]c2n(ncc2c(=O)n1O)c1ccccc1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=c1[nH]c2n(ncc2c(=O)n1O)c1ccccc1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AA87006
ChemicalName: 2-Amino-4-(trifluoromethyl)pyrimidine
CasNumber: 16075-42-6
MolecularFormula: C5H4F3N3
MolecularWeight: 163.1006
MdlNumber: MFCD00828624
Smiles: Nc1nccc(n1)C(F)(F)F
NscNumber: __
Complexity: 135
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 0.8
CatalogNumber:
AA87006
ChemicalName:
2-Amino-4-(trifluoromethyl)pyrimidine
CasNumber:
16075-42-6
MolecularFormula:
C5H4F3N3
MolecularWeight:
163.1006
MdlNumber:
MFCD00828624
Smiles:
Nc1nccc(n1)C(F)(F)F
NscNumber:
__
Complexity:
135
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
0.8