Molecule

ID:62598

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄ClN₃O
Molecular Mass
239.70136
Exact Mass
239.08253976
Charge
0
InChI
InChI=1S/C11H14ClN3O/c1-8(16)15-5-3-2-4-10(15)9-6-13-7-11(12)14-9/h6-7,10H,2-5H2,1H3
InChIKey
ZPPLJNZKJNTQBJ-UHFFFAOYSA-N
Canonic Smiles
CC(=O)N1CCCCC1c1cncc(n1)Cl
Isomeric Smiles
N1(C(c2nc(Cl)cnc2)CCCC1)C(=O)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.67420745
LogD (pH = 7.4)
0.6742082
Log P
0.6742082
Molar Refractivity
61.7893
Polarizability
23.891937
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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