Molecule

ID:46220

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁Cl₂NO₂
Molecular Mass
306.22804
Exact Mass
305.09493428
Charge
0
InChI
InChI=1S/C14H20ClNO2.ClH/c1-17-12-4-5-14(13(15)9-12)18-8-6-11-3-2-7-16-10-11;/h4-5,9,11,16H,2-3,6-8,10H2,1H3;1H
InChIKey
AIUNSPFECSKTCX-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(c(c1)Cl)OCCC1CCCNC1.Cl
Isomeric Smiles
c1(cc(ccc1OCCC1CNCCC1)OC)Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.4234466
LogD (pH = 7.4)
-0.047396515
Log P
2.8108757
Molar Refractivity
73.3646
Polarizability
29.098457
Polar Surface Area
30.49
Rotatable Bonds
5
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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