Molecule

ID:15364

General Information
Structure
Molecular Formula
C₁₆H₂₀ClNO
Molecular Mass
277.7891
Exact Mass
277.12334195
Charge
0
InChI
InChI=1S/C16H19NO.ClH/c1-2-6-15-14(4-1)5-3-7-16(15)18-12-13-8-10-17-11-9-13;/h1-7,13,17H,8-12H2;1H
InChIKey
JIISTBJTGMZGKH-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)COc1cccc2c1cccc2.Cl
Isomeric Smiles
c1ccc2c(c1)c(ccc2)OCC1CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.32201064
LogD (pH = 7.4)
0.13876016
Log P
2.9094102
Molar Refractivity
73.9458
Polarizability
30.464697
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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