Molecule

ID:24097

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄ClN₃O
Molecular Mass
239.70136
Exact Mass
239.08253976
Charge
0
InChI
InChI=1S/C11H13N3O.ClH/c1-7-4-3-5-9(6-7)10-13-11(8(2)12)15-14-10;/h3-6,8H,12H2,1-2H3;1H
InChIKey
ZENMJKGXFHEPFL-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)c1noc(n1)C(N)C.Cl
Isomeric Smiles
n1c(onc1c1cc(ccc1)C)C(N)C.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.6400954
LogD (pH = 7.4)
2.1982343
Log P
2.471789
Molar Refractivity
69.4207
Polarizability
22.685059
Polar Surface Area
64.94
Rotatable Bonds
2
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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