Molecule

ID:21179

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈ClNO
Molecular Mass
263.76252
Exact Mass
263.10769188
Charge
0
InChI
InChI=1S/C15H17NO.ClH/c1-2-4-14-9-15(6-5-13(14)3-1)17-11-12-7-8-16-10-12;/h1-6,9,12,16H,7-8,10-11H2;1H
InChIKey
JCRAFFZLSWPLTE-UHFFFAOYSA-N
Canonic Smiles
C1NCC(C1)COc1ccc2c(c1)cccc2.Cl
Isomeric Smiles
N1CC(COc2cc3c(cc2)cccc3)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.7331748
LogD (pH = 7.4)
-0.5745649
Log P
2.5063982
Molar Refractivity
69.246
Polarizability
28.613766
Polar Surface Area
21.26
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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