Molecule

ID:87177

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₅ClN₂
Molecular Mass
234.7246
Exact Mass
234.09237617
Charge
0
InChI
InChI=1S/C13H14N2.ClH/c14-15(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12;/h1-10H,11,14H2;1H
InChIKey
JTYLHYOCBGPMNO-UHFFFAOYSA-N
Canonic Smiles
NN(c1ccccc1)Cc1ccccc1.Cl
Isomeric Smiles
N(c1ccccc1)(Cc1ccccc1)N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.6185632
LogD (pH = 7.4)
3.123894
Log P
3.1362777
Molar Refractivity
74.1826
Polarizability
24.38848
Polar Surface Area
29.26
Rotatable Bonds
3
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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