Molecule

ID:55672

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₈ClNO
Molecular Mass
275.77322
Exact Mass
275.10769188
Charge
0
InChI
InChI=1S/C16H17NO.ClH/c1-11(2)17-10-12-6-5-8-14-13-7-3-4-9-15(13)18-16(12)14;/h3-9,11,17H,10H2,1-2H3;1H
InChIKey
HJYQFGNFBJKFRG-UHFFFAOYSA-N
Canonic Smiles
CC(NCc1cccc2c1oc1c2cccc1)C.Cl
Isomeric Smiles
o1c2c(c3c1cccc3)cccc2CNC(C)C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.27774274
LogD (pH = 7.4)
1.1436911
Log P
3.4829788
Molar Refractivity
73.6422
Polarizability
31.30986
Polar Surface Area
25.17
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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