Molecule

ID:51577

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₂O₂
Molecular Mass
192.21448
Exact Mass
192.08987763
Charge
0
InChI
InChI=1S/C10H12N2O2/c1-7-5-8(10(11)12-6-7)3-4-9(13)14-2/h3-6H,1-2H3,(H2,11,12)/b4-3+
InChIKey
CPHYEAKEGDBOMK-ONEGZZNKSA-N
Canonic Smiles
COC(=O)/C=C/c1cc(C)cnc1N
Isomeric Smiles
c1(cnc(c(c1)/C=C/C(=O)OC)N)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.37327954
LogD (pH = 7.4)
1.4391463
Log P
1.5765942
Molar Refractivity
55.7272
Polarizability
20.300848
Polar Surface Area
65.21
Rotatable Bonds
3
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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