Molecule

ID:48479

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₂O₂
Molecular Mass
192.21448
Exact Mass
192.08987763
Charge
0
InChI
InChI=1S/C10H12N2O2/c13-10(14)8-4-3-5-11-9(8)12-6-1-2-7-12/h3-5H,1-2,6-7H2,(H,13,14)
InChIKey
DTUSJCJZQJAPGD-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cccnc1N1CCCC1
Isomeric Smiles
c1(c(C(=O)O)cccn1)N1CCCC1
Calculated Properties
JChem
Acid pKa
2.4452739
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.1460173
LogD (pH = 7.4)
-0.9762841
Log P
-0.12128562
Molar Refractivity
53.4404
Polarizability
19.559063
Polar Surface Area
53.43
Rotatable Bonds
2
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
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References
Bioactivity
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