Molecule

ID:24176

General Information
Structure
Molecular Formula
C₁₂H₁₀ClNO
Molecular Mass
219.6669
Exact Mass
219.04509163
Charge
0
InChI
InChI=1S/C12H9NO.ClH/c13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8;/h1-7H,13H2;1H
InChIKey
IVINWYJZLOTUFA-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)oc1c2cccc1.Cl
Isomeric Smiles
c12c3c(oc1cc(cc2)N)cccc3.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.32149
LogD (pH = 7.4)
2.3223107
Log P
2.3223212
Molar Refractivity
55.9272
Polarizability
23.504782
Polar Surface Area
39.16
Rotatable Bonds
0
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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