Molecule

ID:45946

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄ClNO
Molecular Mass
259.73076
Exact Mass
259.07639175
Charge
0
InChI
InChI=1S/C15H14ClNO/c16-12-6-7-15(18-13-9-17-10-13)14(8-12)11-4-2-1-3-5-11/h1-8,13,17H,9-10H2
InChIKey
VWYVMFWKHSUUOW-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)c1ccccc1)OC1CNC1
Isomeric Smiles
c1(c(OC2CNC2)ccc(c1)Cl)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.75105476
LogD (pH = 7.4)
2.4071538
Log P
3.5906832
Molar Refractivity
72.8878
Polarizability
30.163168
Polar Surface Area
21.26
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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