Molecule

ID:56503

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₃Cl₂NO
Molecular Mass
330.20792
Exact Mass
329.0374194
Charge
0
InChI
InChI=1S/C18H13Cl2NO/c1-2-11-3-5-12(6-4-11)17-10-15(18(20)22)14-9-13(19)7-8-16(14)21-17/h3-10H,2H2,1H3
InChIKey
ZXZJPBYPBCUOAG-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc(cc1)c1nc2ccc(cc2c(c1)C(=O)Cl)Cl
Isomeric Smiles
c1(c2c(nc(c1)c1ccc(cc1)CC)ccc(c2)Cl)C(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.9169197
LogD (pH = 7.4)
5.9169235
Log P
5.9169235
Molar Refractivity
90.3052
Polarizability
37.128883
Polar Surface Area
29.96
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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