Molecule

ID:110530

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄ClN₃O
Molecular Mass
239.70136
Exact Mass
239.08253976
Charge
0
InChI
InChI=1S/C11H13N3O.ClH/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9;/h3-7H,12H2,1-2H3;1H
InChIKey
UZSCVCWALGRUTR-UHFFFAOYSA-N
Canonic Smiles
Nc1c(C)n(n(c1=O)c1ccccc1)C.Cl
Isomeric Smiles
Cl.Cn1n(c(=O)c(N)c1C)c1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.33496395
LogD (pH = 7.4)
0.33496654
Log P
0.33496657
Molar Refractivity
60.0417
Polarizability
22.0289
Polar Surface Area
49.57
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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