Molecule

ID:86193

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂ClNO
Molecular Mass
245.70418
Exact Mass
245.06074169
Charge
0
InChI
InChI=1S/C14H12ClNO/c1-16-11-5-3-2-4-10(11)13-12(16)7-6-9(8-17)14(13)15/h2-5,8H,6-7H2,1H3
InChIKey
LREREXKWGCANDA-UHFFFAOYSA-N
Canonic Smiles
O=CC1=C(Cl)c2c(CC1)n(c1c2cccc1)C
Isomeric Smiles
n1(c2c(c3c1cccc3)C(=C(CC2)C=O)Cl)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.6633108
LogD (pH = 7.4)
2.6633108
Log P
2.6633108
Molar Refractivity
70.4615
Polarizability
27.424776
Polar Surface Area
22.0
Rotatable Bonds
1
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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