Molecule

ID:55568

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈ClN
Molecular Mass
199.72032
Exact Mass
199.11277726
Charge
0
InChI
InChI=1S/C11H17N.ClH/c1-9(2)12-8-11-6-4-5-10(3)7-11;/h4-7,9,12H,8H2,1-3H3;1H
InChIKey
KAOGVFMHKDOWOC-UHFFFAOYSA-N
Canonic Smiles
CC(NCc1cccc(c1)C)C.Cl
Isomeric Smiles
N(Cc1cc(ccc1)C)C(C)C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.39427772
LogD (pH = 7.4)
0.39164114
Log P
2.818399
Molar Refractivity
53.5146
Polarizability
21.05545
Polar Surface Area
12.03
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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