Molecule

ID:12555

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₂O₂
Molecular Mass
154.1665
Exact Mass
154.07422757
Charge
0
InChI
InChI=1S/C7H10N2O2/c1-6-2-4-9(8-6)5-3-7(10)11/h2,4H,3,5H2,1H3,(H,10,11)
InChIKey
FPLLCFQUZAEVIE-UHFFFAOYSA-N
Canonic Smiles
Cc1ccn(n1)CCC(=O)O
Isomeric Smiles
n1n(ccc1C)CCC(=O)O
Calculated Properties
JChem
Acid pKa
4.151145
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.1964316
LogD (pH = 7.4)
-2.8690598
Log P
-0.06809796
Molar Refractivity
50.3369
Polarizability
14.9890375
Polar Surface Area
55.12
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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