Molecule

ID:103657

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆ClN₃O₂
Molecular Mass
305.75944
Exact Mass
305.09310445
Charge
0
InChI
InChI=1S/C15H15N3O2.ClH/c1-18(2)12-9-7-11(8-10-12)16-17-14-6-4-3-5-13(14)15(19)20;/h3-10H,1-2H3,(H,19,20);1H
InChIKey
ICTWKXAVJAHRMK-UHFFFAOYSA-N
Canonic Smiles
CN(c1ccc(cc1)/N=N/c1ccccc1C(=O)O)C.Cl
Isomeric Smiles
Cl.CN(C)c1ccc(cc1)/N=N/c1ccccc1C(=O)O
Calculated Properties
JChem
Acid pKa
3.1543539
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
2.0194206
LogD (pH = 7.4)
0.73341477
Log P
3.31109
Molar Refractivity
82.0618
Polarizability
28.711033
Polar Surface Area
65.26
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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