Molecule

ID:130935

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈ClN₃O₂
Molecular Mass
295.76462
Exact Mass
295.10875451
Charge
0
InChI
InChI=1S/C14H17N3O2.ClH/c1-19-14(18)13(7-12-9-15-10-17-12)16-8-11-5-3-2-4-6-11;/h2-6,9-10,13,16H,7-8H2,1H3,(H,15,17);1H
InChIKey
PZLZDRWQRDAICM-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(Cc1cnc[nH]1)NCc1ccccc1.Cl
Isomeric Smiles
COC(=O)C(Cc1cnc[nH]1)NCc1ccccc1.Cl
Calculated Properties
JChem
Acid pKa
12.920363
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.09873635
LogD (pH = 7.4)
0.8770918
Log P
0.95339227
Molar Refractivity
72.2153
Polarizability
28.23127
Polar Surface Area
67.01
Rotatable Bonds
7
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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