Molecule

ID:46604

General Information
Structure
Molecular Formula
C₁₃H₁₉Cl₂NO
Molecular Mass
276.20206
Exact Mass
275.08436959
Charge
0
InChI
InChI=1S/C13H18ClNO.ClH/c14-11-4-6-13(7-5-11)16-10-8-12-3-1-2-9-15-12;/h4-7,12,15H,1-3,8-10H2;1H
InChIKey
MPFUEIHBNWCJFP-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)OCCC1CCCCN1.Cl
Isomeric Smiles
N1C(CCOc2ccc(Cl)cc2)CCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.20022596
LogD (pH = 7.4)
0.39267656
Log P
3.0253088
Molar Refractivity
66.728
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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