Molecule

ID:33700

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂O₂
Molecular Mass
194.23036
Exact Mass
194.1055277
Charge
0
InChI
InChI=1S/C10H14N2O2/c1-4-12-8(3)9(7(2)11-12)5-6-10(13)14/h5-6H,4H2,1-3H3,(H,13,14)/b6-5+
InChIKey
JSEQBXVXOVSZTE-AATRIKPKSA-N
Canonic Smiles
CCn1nc(c(c1C)/C=C/C(=O)O)C
Isomeric Smiles
c1(c(n(nc1C)CC)C)/C=C/C(=O)O
Calculated Properties
JChem
Acid pKa
4.489173
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.15939848
LogD (pH = 7.4)
-1.5998385
Log P
1.052202
Molar Refractivity
66.4531
Polarizability
20.14805
Polar Surface Area
55.12
Rotatable Bonds
3
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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