Molecule

ID:38276

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆ClN₃O₂
Molecular Mass
293.74874
Exact Mass
293.09310445
Charge
0
InChI
InChI=1S/C14H15N3O2.ClH/c15-14(18)10-7-12(13-8-16-5-6-19-13)17-11-4-2-1-3-9(10)11;/h1-4,7,13,16H,5-6,8H2,(H2,15,18);1H
InChIKey
YGCJALWURFIHQZ-UHFFFAOYSA-N
Canonic Smiles
NC(=O)c1cc(nc2c1cccc2)C1CNCCO1.Cl
Isomeric Smiles
c1(cc(nc2c1cccc2)C1OCCNC1)C(=O)N.Cl
Calculated Properties
JChem
Acid pKa
14.4021845
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.5982
LogD (pH = 7.4)
0.10292866
Log P
0.6148173
Molar Refractivity
70.6033
Polarizability
28.629751
Polar Surface Area
77.24
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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