Molecule

ID:48541

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄ClN₃O
Molecular Mass
239.70136
Exact Mass
239.08253976
Charge
0
InChI
InChI=1S/C11H14ClN3O/c1-14-5-7-15(8-6-14)11(16)9-3-2-4-13-10(9)12/h2-4H,5-8H2,1H3
InChIKey
OCTLIQOVHDGVAJ-UHFFFAOYSA-N
Canonic Smiles
CN1CCN(CC1)C(=O)c1cccnc1Cl
Isomeric Smiles
C(=O)(c1c(nccc1)Cl)N1CCN(CC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.45704687
LogD (pH = 7.4)
0.65316874
Log P
0.7249072
Molar Refractivity
64.6891
Polarizability
24.243628
Polar Surface Area
36.44
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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