Molecule

ID:26752

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₈Cl₂N₂OS
Molecular Mass
369.30862
Exact Mass
368.05168957
Charge
0
InChI
InChI=1S/C17H18Cl2N2OS/c1-2-9-3-5-11-14(7-9)23-16(20)15(11)17(22)21-13-6-4-10(18)8-12(13)19/h4,6,8-9H,2-3,5,7,20H2,1H3,(H,21,22)
InChIKey
SVNSXMIBXXCPBI-UHFFFAOYSA-N
Canonic Smiles
CCC1CCc2c(C1)sc(c2C(=O)Nc1ccc(cc1Cl)Cl)N
Isomeric Smiles
c1(c(sc2c1CCC(C2)CC)N)C(=O)Nc1c(cc(cc1)Cl)Cl
Calculated Properties
JChem
Acid pKa
10.1281805
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
6.3570023
LogD (pH = 7.4)
6.3562427
Log P
6.357013
Molar Refractivity
98.7371
Polarizability
36.68914
Polar Surface Area
55.12
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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