Molecule

ID:21040

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₈ClNO
Molecular Mass
275.77322
Exact Mass
275.10769188
Charge
0
InChI
InChI=1S/C16H17NO.ClH/c1-2-6-13(7-3-1)15-8-4-5-9-16(15)18-14-10-11-17-12-14;/h1-9,14,17H,10-12H2;1H
InChIKey
VTYMKDJTMIKSKM-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)c1ccccc1OC1CNCC1.Cl
Isomeric Smiles
c1(c(c2ccccc2)cccc1)OC1CCNC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.18347596
LogD (pH = 7.4)
0.31144848
Log P
3.0465984
Molar Refractivity
72.9484
Polarizability
30.236893
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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