Molecule

ID:60720

General Information
Structure
Molecular Formula
C₁₅H₁₇NS₃
Molecular Mass
307.49718
Exact Mass
307.05231255
Charge
0
InChI
InChI=1S/C15H17NS3/c1-4-9-16-11-8-6-5-7-10(11)12-13(15(16,2)3)18-19-14(12)17/h5-8H,4,9H2,1-3H3
InChIKey
CXLKGWQQMIMBIO-UHFFFAOYSA-N
Canonic Smiles
CCCN1c2ccccc2c2c(C1(C)C)ssc2=S
Isomeric Smiles
c12c(c3c(N(C1(C)C)CCC)cccc3)c(=S)ss2
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.17267
LogD (pH = 7.4)
5.1727233
Log P
5.1727242
Molar Refractivity
94.3164
Polarizability
36.096714
Polar Surface Area
3.24
Rotatable Bonds
2
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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