Molecule

ID:79404

General Information
Structure
Molecular Formula
C₁₅H₁₇ClN₄O₂S
Molecular Mass
352.83908
Exact Mass
352.07607448
Charge
0
InChI
InChI=1S/C15H17ClN4O2S/c1-4-9-23-14-17-18-19-20(14)11-5-7-12(8-6-11)22-13(21)15(2,3)10-16/h4-8H,1,9-10H2,2-3H3
InChIKey
ZGWQIRGFKKXJQI-UHFFFAOYSA-N
Canonic Smiles
C=CCSc1nnnn1c1ccc(cc1)OC(=O)C(CCl)(C)C
Isomeric Smiles
n1(c2ccc(cc2)OC(=O)C(CCl)(C)C)c(nnn1)SCC=C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
4.431227
LogD (pH = 7.4)
4.431227
Log P
4.431227
Molar Refractivity
94.0975
Polarizability
35.8135
Polar Surface Area
69.9
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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