Molecule

ID:81244

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₄ClNO
Molecular Mass
235.70936
Exact Mass
235.07639175
Charge
0
InChI
InChI=1S/C13H14ClNO/c1-15(2)10-9-13(16)8-5-11-3-6-12(14)7-4-11/h3-10H,1-2H3
InChIKey
QUKRUPURRGVIDX-UHFFFAOYSA-N
Canonic Smiles
O=C(/C=C/c1ccc(cc1)Cl)/C=C/N(C)C
Isomeric Smiles
O=C(/C=C/c1ccc(cc1)Cl)/C=C/N(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3961048
LogD (pH = 7.4)
3.3652647
Log P
3.4140844
Molar Refractivity
69.768
Polarizability
25.874935
Polar Surface Area
20.31
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
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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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