Molecule

ID:46602

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉Cl₂NO
Molecular Mass
276.20206
Exact Mass
275.08436959
Charge
0
InChI
InChI=1S/C13H18ClNO.ClH/c14-12-1-3-13(4-2-12)16-10-7-11-5-8-15-9-6-11;/h1-4,11,15H,5-10H2;1H
InChIKey
VANJXGFSWXLVQS-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)OCCC1CCNCC1.Cl
Isomeric Smiles
N1CCC(CCOc2ccc(Cl)cc2)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.34099266
LogD (pH = 7.4)
0.11539732
Log P
2.890593
Molar Refractivity
66.9784
Polarizability
26.547083
Polar Surface Area
21.26
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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