Molecule

ID:79800

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄ClNO
Molecular Mass
259.73076
Exact Mass
259.07639175
Charge
0
InChI
InChI=1S/C15H14ClNO/c16-9-11(18)10-17-14-7-3-1-5-12(14)13-6-2-4-8-15(13)17/h1-8,11,18H,9-10H2
InChIKey
SBVKUYWOXYQKGG-UHFFFAOYSA-N
Canonic Smiles
ClCC(Cn1c2ccccc2c2c1cccc2)O
Isomeric Smiles
n1(c2c(cccc2)c2ccccc12)CC(O)CCl
Calculated Properties
JChem
Acid pKa
13.914964
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.3487167
LogD (pH = 7.4)
3.3487165
Log P
3.3487167
Molar Refractivity
73.6747
Polarizability
30.97012
Polar Surface Area
25.16
Rotatable Bonds
3
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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