Molecule

ID:24167

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄ClN₃O₂
Molecular Mass
243.69006
Exact Mass
243.07745438
Charge
0
InChI
InChI=1S/C10H13N3O2.ClH/c1-12-7-4-6(11)9(15-3)5-8(7)13(2)10(12)14;/h4-5H,11H2,1-3H3;1H
InChIKey
SBGGEZOVGKDCMK-UHFFFAOYSA-N
Canonic Smiles
COc1cc2c(cc1N)n(c(=O)n2C)C.Cl
Isomeric Smiles
c12c(n(c(=O)n2C)C)cc(c(c1)OC)N.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.2454044
LogD (pH = 7.4)
0.24876788
Log P
0.24881093
Molar Refractivity
57.3902
Polarizability
21.125942
Polar Surface Area
58.8
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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