Molecule

ID:36535

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₄ClNO₃
Molecular Mass
327.76166
Exact Mass
327.06622099
Charge
0
InChI
InChI=1S/C18H14ClNO3/c19-11-17-16(18(21)23-20-17)10-13-6-8-15(9-7-13)22-12-14-4-2-1-3-5-14/h1-10H,11-12H2/b16-10+
InChIKey
SFKYETLICFWNPC-MHWRWJLKSA-N
Canonic Smiles
ClCC1=NOC(=O)/C/1=C/c1ccc(cc1)OCc1ccccc1
Isomeric Smiles
C\1(=C\c2ccc(OCc3ccccc3)cc2)/C(=O)ON=C1CCl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.7661505
LogD (pH = 7.4)
4.7661524
Log P
4.7661524
Molar Refractivity
88.8438
Polarizability
34.058517
Polar Surface Area
47.89
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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