Molecule

ID:62066

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄ClN₃O
Molecular Mass
239.70136
Exact Mass
239.08253976
Charge
0
InChI
InChI=1S/C11H14ClN3O/c1-8(16)15-4-2-9(3-5-15)10-6-13-7-11(12)14-10/h6-7,9H,2-5H2,1H3
InChIKey
USCUKVXHXXCMEL-UHFFFAOYSA-N
Canonic Smiles
CC(=O)N1CCC(CC1)c1cncc(n1)Cl
Isomeric Smiles
N1(C(=O)C)CCC(c2nc(Cl)cnc2)CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.20701201
LogD (pH = 7.4)
0.20701313
Log P
0.20701315
Molar Refractivity
62.1993
Polarizability
23.893248
Polar Surface Area
46.09
Rotatable Bonds
1
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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