Molecule

ID:19629

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₂ClNO
Molecular Mass
269.72558
Exact Mass
269.06074169
Charge
0
InChI
InChI=1S/C16H12ClNO/c17-13-8-4-9-14(18)16(13)19-15-10-3-6-11-5-1-2-7-12(11)15/h1-10H,18H2
InChIKey
PNZAQHFOZGZINO-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1Oc1cccc2c1cccc2)Cl
Isomeric Smiles
c1(Oc2c3c(ccc2)cccc3)c(N)cccc1Cl
Calculated Properties
JChem
Acid pKa
19.951931
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.2376766
LogD (pH = 7.4)
4.238123
Log P
4.2381287
Molar Refractivity
78.2542
Polarizability
31.226448
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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