Molecule

ID:36523

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄ClNO₂
Molecular Mass
263.71946
Exact Mass
263.07130637
Charge
0
InChI
InChI=1S/C14H14ClNO2/c1-9(2)11-5-3-10(4-6-11)7-12-13(8-15)16-18-14(12)17/h3-7,9H,8H2,1-2H3/b12-7+
InChIKey
ZSPRQLGHBLEWMC-KPKJPENVSA-N
Canonic Smiles
ClCC1=NOC(=O)/C/1=C/c1ccc(cc1)C(C)C
Isomeric Smiles
C\1(=C\c2ccc(cc2)C(C)C)/C(=O)ON=C1CCl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.4443536
LogD (pH = 7.4)
4.44436
Log P
4.44436
Molar Refractivity
71.9588
Polarizability
27.40007
Polar Surface Area
38.66
Rotatable Bonds
3
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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