Molecule

ID:125470

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₂O₂
Molecular Mass
192.21448
Exact Mass
192.08987763
Charge
0
InChI
InChI=1S/C10H12N2O2/c11-2-1-6-5-12-10-8(6)3-7(13)4-9(10)14/h3-5,12-14H,1-2,11H2
InChIKey
LXWHQTNFZDTKBH-UHFFFAOYSA-N
Canonic Smiles
NCCc1c[nH]c2c1cc(O)cc2O
Isomeric Smiles
Oc1cc2c(c(O)c1)[nH]cc2CCN
Calculated Properties
JChem
Acid pKa
8.6388855
H Acceptors
3
H Donor
4
LogD (pH = 5.5)
-2.0954468
LogD (pH = 7.4)
-1.0816444
Log P
-0.073819295
Molar Refractivity
54.3347
Polarizability
21.876507
Polar Surface Area
82.27
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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