Molecule

ID:76316

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀ClN
Molecular Mass
225.7576
Exact Mass
225.12842733
Charge
0
InChI
InChI=1S/C13H19N.ClH/c1-11-2-4-12(5-3-11)10-13-6-8-14-9-7-13;/h2-5,13-14H,6-10H2,1H3;1H
InChIKey
YAMLAAGPSGVXFW-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)CC1CCNCC1.Cl
Isomeric Smiles
N1CCC(Cc2ccc(cc2)C)CC1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.19526549
LogD (pH = 7.4)
0.2616444
Log P
3.036301
Molar Refractivity
61.1212
Polarizability
23.925125
Polar Surface Area
12.03
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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