Molecule

ID:15902

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈ClNO
Molecular Mass
263.76252
Exact Mass
263.10769188
Charge
0
InChI
InChI=1S/C15H17NO.ClH/c1-17-15-4-2-3-13(11-15)6-5-12-7-9-14(16)10-8-12;/h2-4,7-11H,5-6,16H2,1H3;1H
InChIKey
PTMJKXPCUKBUJF-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)CCc1ccc(cc1)N.Cl
Isomeric Smiles
c1c(ccc(c1)CCc1cc(ccc1)OC)N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.4698663
LogD (pH = 7.4)
3.5222995
Log P
3.5230112
Molar Refractivity
71.5598
Polarizability
27.14224
Polar Surface Area
35.25
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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