Molecule

ID:83453

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₈ClNO₂
Molecular Mass
327.80472
Exact Mass
327.1026065
Charge
0
InChI
InChI=1S/C19H18ClNO2/c1-2-3-13-21-16-12-8-7-11-15(16)17(22)19(20,18(21)23)14-9-5-4-6-10-14/h4-12H,2-3,13H2,1H3
InChIKey
NZYAECGZQIFRAS-UHFFFAOYSA-N
Canonic Smiles
CCCCN1c2ccccc2C(=O)C(C1=O)(Cl)c1ccccc1
Isomeric Smiles
N1(C(=O)C(c2ccccc2)(C(=O)c2ccccc12)Cl)CCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.512007
LogD (pH = 7.4)
4.512007
Log P
4.512007
Molar Refractivity
90.9802
Polarizability
35.148006
Polar Surface Area
37.38
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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