Molecule

ID:21079

General Information
Structure
Molecular Formula
C₁₄H₂₂ClNO
Molecular Mass
255.78358
Exact Mass
255.13899201
Charge
0
InChI
InChI=1S/C14H21NO.ClH/c1-14(2,3)11-4-6-12(7-5-11)16-13-8-9-15-10-13;/h4-7,13,15H,8-10H2,1-3H3;1H
InChIKey
VPZANJSCCZZHLM-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc(cc1)OC1CNCC1)(C)C.Cl
Isomeric Smiles
C(c1ccc(OC2CCNC2)cc1)(C)(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.2862777
LogD (pH = 7.4)
0.19294852
Log P
2.9444292
Molar Refractivity
66.4781
Polarizability
26.480247
Polar Surface Area
21.26
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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