Molecule

ID:64951

General Information
Structure
Molecular Formula
C₁₅H₁₅ClN₂
Molecular Mass
258.746
Exact Mass
258.09237617
Charge
0
InChI
InChI=1S/C15H15ClN2/c16-15-14-7-9-18(11-13(14)6-8-17-15)10-12-4-2-1-3-5-12/h1-6,8H,7,9-11H2
InChIKey
IUQVIIUHJIPKQK-UHFFFAOYSA-N
Canonic Smiles
Clc1nccc2c1CCN(C2)Cc1ccccc1
Isomeric Smiles
c1cnc(c2c1CN(CC2)Cc1ccccc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.96756727
LogD (pH = 7.4)
2.7074957
Log P
3.2855537
Molar Refractivity
76.2321
Polarizability
29.036617
Polar Surface Area
16.13
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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