Molecule

ID:63952

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂ClN₃O
Molecular Mass
273.71758
Exact Mass
273.0668897
Charge
0
InChI
InChI=1S/C14H12ClN3O/c1-10-12(19-8-11-5-3-2-4-6-11)7-18-13(10)14(15)16-9-17-18/h2-7,9H,8H2,1H3
InChIKey
JNAABNDXDSYVGA-UHFFFAOYSA-N
Canonic Smiles
Clc1ncnn2c1c(C)c(c2)OCc1ccccc1
Isomeric Smiles
c1(c2n(cc1OCc1ccccc1)ncnc2Cl)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.7017386
LogD (pH = 7.4)
3.7017896
Log P
3.70179
Molar Refractivity
86.7822
Polarizability
28.889805
Polar Surface Area
39.42
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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