Molecule

ID:71074

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅ClN₂S
Molecular Mass
278.8003
Exact Mass
278.06444717
Charge
0
InChI
InChI=1S/C14H14N2S.ClH/c15-9-10-16-11-5-1-3-7-13(11)17-14-8-4-2-6-12(14)16;/h1-8H,9-10,15H2;1H
InChIKey
LAVBLPLCRGKRCC-UHFFFAOYSA-N
Canonic Smiles
NCCN1c2ccccc2Sc2c1cccc2.Cl
Isomeric Smiles
N1(c2c(Sc3c1cccc3)cccc2)CCN.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.058253706
LogD (pH = 7.4)
0.91561294
Log P
3.0553675
Molar Refractivity
74.0168
Polarizability
28.614475
Polar Surface Area
29.26
Rotatable Bonds
2
Lipinski's Rule of Five
true
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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