Molecule

ID:19706

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₂ClNO
Molecular Mass
269.72558
Exact Mass
269.06074169
Charge
0
InChI
InChI=1S/C16H12ClNO/c17-12-8-9-16(14(18)10-12)19-15-7-3-5-11-4-1-2-6-13(11)15/h1-10H,18H2
InChIKey
HWVRJYVKJOSWCY-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)N)Oc1cccc2c1cccc2
Isomeric Smiles
O(c1c2c(ccc1)cccc2)c1c(cc(cc1)Cl)N
Calculated Properties
JChem
Acid pKa
19.744064
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.237824
LogD (pH = 7.4)
4.238125
Log P
4.2381287
Molar Refractivity
78.2542
Polarizability
31.198095
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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