Molecule

ID:19572

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₄ClNO
Molecular Mass
283.75216
Exact Mass
283.07639175
Charge
0
InChI
InChI=1S/C17H14ClNO/c18-15-9-4-10-16(19)17(15)20-11-13-7-3-6-12-5-1-2-8-14(12)13/h1-10H,11,19H2
InChIKey
OSQURHYMKYBGMA-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1OCc1cccc2c1cccc2)Cl
Isomeric Smiles
c1(OCc2c3c(ccc2)cccc3)c(N)cccc1Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.2969403
LogD (pH = 7.4)
4.3045454
Log P
4.304643
Molar Refractivity
83.0892
Polarizability
33.00452
Polar Surface Area
35.25
Rotatable Bonds
3
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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