Molecule

ID:34209

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₅Cl₂NO
Molecular Mass
332.2238
Exact Mass
331.05306947
Charge
0
InChI
InChI=1S/C18H15Cl2NO/c1-3-11-4-9-15-14(10-11)16(17(18(20)22)21(15)2)12-5-7-13(19)8-6-12/h4-10H,3H2,1-2H3
InChIKey
UHLVMMMPPRKVHQ-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc2c(c1)c(c1ccc(cc1)Cl)c(n2C)C(=O)Cl
Isomeric Smiles
c1(ccc2c(c1)c(c(n2C)C(=O)Cl)c1ccc(cc1)Cl)CC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.6158576
LogD (pH = 7.4)
5.6158576
Log P
5.6158576
Molar Refractivity
92.6166
Polarizability
37.48314
Polar Surface Area
22.0
Rotatable Bonds
3
Lipinski's Rule of Five
false
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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