Molecule

ID:56376

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₄ClNOS
Molecular Mass
315.81716
Exact Mass
315.04846275
Charge
0
InChI
InChI=1S/C17H14ClNOS/c1-3-11-5-7-16(21-11)15-9-13(17(18)20)12-8-10(2)4-6-14(12)19-15/h4-9H,3H2,1-2H3
InChIKey
SAZUDDBYRGFYIB-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc(s1)c1nc2ccc(cc2c(c1)C(=O)Cl)C
Isomeric Smiles
c1(c2c(nc(c3sc(cc3)CC)c1)ccc(c2)C)C(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.7358837
LogD (pH = 7.4)
5.7358875
Log P
5.7358875
Molar Refractivity
87.3696
Polarizability
35.6881
Polar Surface Area
29.96
Rotatable Bonds
3
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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