Molecule

ID:73239

General Information
Structure
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Molecular Formula
C₁₄H₁₅Cl₂NS
Molecular Mass
300.2466
Exact Mass
299.03022585
Charge
0
InChI
InChI=1S/C14H14ClNS.ClH/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14;/h1-4,6,8H,5,7,9-10H2;1H
InChIKey
MTKNGOHFNXIVOS-UHFFFAOYSA-N
Canonic Smiles
Clc1ccccc1CN1CCc2c(C1)ccs2.Cl
Isomeric Smiles
c12c(CN(CC1)Cc1c(Cl)cccc1)ccs2.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.3920543
LogD (pH = 7.4)
3.93956
Log P
4.1959305
Molar Refractivity
74.328
Polarizability
28.51201
Polar Surface Area
3.24
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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