Molecule

ID:31780

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₂O₂
Molecular Mass
154.1665
Exact Mass
154.07422757
Charge
0
InChI
InChI=1S/C7H10N2O2/c1-3-9-5(2)4-6(8-9)7(10)11/h4H,3H2,1-2H3,(H,10,11)
InChIKey
DMGJEACTEOFQPI-UHFFFAOYSA-N
Canonic Smiles
CCn1nc(cc1C)C(=O)O
Isomeric Smiles
c1(nn(c(c1)C)CC)C(=O)O
Calculated Properties
JChem
Acid pKa
3.1762695
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.3014445
LogD (pH = 7.4)
-2.4491148
Log P
1.0009084
Molar Refractivity
51.7439
Polarizability
14.90252
Polar Surface Area
55.12
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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