Molecule

ID:21873

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀ClN
Molecular Mass
225.7576
Exact Mass
225.12842733
Charge
0
InChI
InChI=1S/C13H19N.ClH/c1-2-6-12(7-3-1)10-11-14-13-8-4-5-9-13;/h1-3,6-7,13-14H,4-5,8-11H2;1H
InChIKey
NZGDKVXEAAAUJR-UHFFFAOYSA-N
Canonic Smiles
C1CCC(C1)NCCc1ccccc1.Cl
Isomeric Smiles
N(CCc1ccccc1)C1CCCC1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.058872044
LogD (pH = 7.4)
0.3328181
Log P
3.1749578
Molar Refractivity
60.4742
Polarizability
24.00656
Polar Surface Area
12.03
Rotatable Bonds
4
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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