Molecule

ID:103721

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆ClN₃S
Molecular Mass
305.82564
Exact Mass
305.07534621
Charge
0
InChI
InChI=1S/C15H15N3S.ClH/c1-9-6-13-15(8-11(9)16)19-14-7-10(18(2)3)4-5-12(14)17-13;/h4-8,16H,1-3H3;1H
InChIKey
GEDVVYWLPUPJJZ-UHFFFAOYSA-N
Canonic Smiles
Cc1cc2nc3ccc(=[N+](C)C)cc3sc2cc1N.[Cl-]
Isomeric Smiles
[Cl-].Cc1cc2c(sc3cc(=[N+](C)C)ccc3n2)cc1N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.0453479
LogD (pH = 7.4)
-1.0433495
Log P
-1.043324
Molar Refractivity
99.194
Polarizability
30.81272
Polar Surface Area
41.39
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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