Molecule

ID:77758

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₂O₂
Molecular Mass
192.21448
Exact Mass
192.08987763
Charge
0
InChI
InChI=1S/C10H12N2O2/c13-10(14)9-4-3-8(7-11-9)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2,(H,13,14)
InChIKey
ACLFTMQROMOTLA-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(cn1)N1CCCC1
Isomeric Smiles
N1(c2cnc(cc2)C(=O)O)CCCC1
Calculated Properties
JChem
Acid pKa
1.3956947
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.32472855
LogD (pH = 7.4)
-1.705894
Log P
-0.09680647
Molar Refractivity
52.7549
Polarizability
19.563255
Polar Surface Area
53.43
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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