Molecule
ID:21901
General Information
Molecular Formula
C₇H₁₀N₂O₂
Molecular Mass
154.1665
Exact Mass
154.07422757
Charge
0
InChI
InChI=1S/C7H10N2O2/c1-2-6(7(10)11)9-5-3-4-8-9/h3-6H,2H2,1H3,(H,10,11)
InChIKey
IEXRRMGTTDOMLK-UHFFFAOYSA-N
Canonic Smiles
CCC(n1cccn1)C(=O)O
Isomeric Smiles
n1(C(C(=O)O)CC)nccc1
Calculated Properties
JChem
Acid pKa
3.7572029
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.79265714
LogD (pH = 7.4)
-2.3196518
Log P
0.8550998
Molar Refractivity
50.0639
Polarizability
15.064103
Polar Surface Area
55.12
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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