Molecule

ID:20143

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈ClNO
Molecular Mass
263.76252
Exact Mass
263.10769188
Charge
0
InChI
InChI=1S/C15H17NO.ClH/c1-11(2)12-4-3-5-15(10-12)17-14-8-6-13(16)7-9-14;/h3-11H,16H2,1-2H3;1H
InChIKey
MDTRPRPCDGDNGW-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)Oc1cccc(c1)C(C)C.Cl
Isomeric Smiles
c1cc(Oc2ccc(N)cc2)cc(c1)C(C)C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.862903
LogD (pH = 7.4)
3.8892694
Log P
3.8896163
Molar Refractivity
71.19
Polarizability
27.279705
Polar Surface Area
35.25
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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