Molecule

ID:29323

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅Cl₂NO
Molecular Mass
296.1917
Exact Mass
295.05306947
Charge
0
InChI
InChI=1S/C15H15Cl2NO/c1-11(19-13-8-6-12(16)7-9-13)10-18-15-5-3-2-4-14(15)17/h2-9,11,18H,10H2,1H3
InChIKey
NSSLPLYYJIMNQR-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1ccc(cc1)Cl)CNc1ccccc1Cl
Isomeric Smiles
N(c1c(Cl)cccc1)CC(Oc1ccc(Cl)cc1)C
Calculated Properties
JChem
Acid pKa
18.026234
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.7133574
LogD (pH = 7.4)
4.7147207
Log P
4.714738
Molar Refractivity
80.8324
Polarizability
30.989029
Polar Surface Area
21.26
Rotatable Bonds
5
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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