Molecule

ID:21075

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₈ClNO
Molecular Mass
275.77322
Exact Mass
275.10769188
Charge
0
InChI
InChI=1S/C16H17NO.ClH/c1-2-4-13(5-3-1)14-6-8-15(9-7-14)18-16-10-11-17-12-16;/h1-9,16-17H,10-12H2;1H
InChIKey
JBICWZOEVJAQPQ-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)c1ccc(cc1)OC1CCNC1.Cl
Isomeric Smiles
c1(c2ccccc2)ccc(OC2CCNC2)cc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.18377346
LogD (pH = 7.4)
0.30384266
Log P
3.0465984
Molar Refractivity
72.9484
Polarizability
30.231125
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
No Data Available
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Molecule Details
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References
Bioactivity
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