Molecule

ID:31385

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₇ClN₂
Molecular Mass
236.74048
Exact Mass
236.10802623
Charge
0
InChI
InChI=1S/C13H16N2.ClH/c1-8-3-4-10-11-7-14-6-5-12(11)15-13(10)9(8)2;/h3-4,14-15H,5-7H2,1-2H3;1H
InChIKey
FBGRLVXDBPTTQX-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1C)[nH]c1c2CNCC1.Cl
Isomeric Smiles
c12[nH]c3c(c1ccc(c2C)C)CNCC3.Cl
Calculated Properties
JChem
Acid pKa
16.445908
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
-0.784522
LogD (pH = 7.4)
0.3106162
Log P
2.3883877
Molar Refractivity
63.7724
Polarizability
25.390509
Polar Surface Area
27.82
Rotatable Bonds
0
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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