Molecule

ID:31321

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₂O₂
Molecular Mass
154.1665
Exact Mass
154.07422757
Charge
0
InChI
InChI=1S/C7H10N2O2/c1-2-5-9-6(7(10)11)3-4-8-9/h3-4H,2,5H2,1H3,(H,10,11)
InChIKey
WGJWTCXVNOHDSG-UHFFFAOYSA-N
Canonic Smiles
CCCn1nccc1C(=O)O
Isomeric Smiles
c1(n(ncc1)CCC)C(=O)O
Calculated Properties
JChem
Acid pKa
3.2838764
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.3452942
LogD (pH = 7.4)
-2.5725558
Log P
0.85802025
Molar Refractivity
51.3677
Polarizability
14.973286
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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