Molecule

ID:19708

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₂ClNO
Molecular Mass
269.72558
Exact Mass
269.06074169
Charge
0
InChI
InChI=1S/C16H12ClNO/c17-13-6-8-16(15(18)10-13)19-14-7-5-11-3-1-2-4-12(11)9-14/h1-10H,18H2
InChIKey
OSONOOMSGZJDBA-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)N)Oc1ccc2c(c1)cccc2
Isomeric Smiles
c1(c(cc(cc1)Cl)N)Oc1cc2c(cc1)cccc2
Calculated Properties
JChem
Acid pKa
19.756971
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.2378244
LogD (pH = 7.4)
4.238125
Log P
4.2381287
Molar Refractivity
78.2542
Polarizability
31.19402
Polar Surface Area
35.25
Rotatable Bonds
2
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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