Molecule
ID:120845
General Information
Molecular Formula
C₇H₁₂N₂O₂
Molecular Mass
156.18238
Exact Mass
156.08987763
Charge
0
InChI
InChI=1S/C7H12N2O2/c10-7(11)3-5-9-6-2-1-4-8-6/h1-5H2,(H,8,9)(H,10,11)
InChIKey
INQNFMWNADKYOU-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCNC1=NCCC1
Isomeric Smiles
N1=C(NCCC(=O)O)CCC1
Calculated Properties
JChem
Acid pKa
4.015489
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.1736982
LogD (pH = 7.4)
-2.1622763
Log P
-2.162243
Molar Refractivity
39.9957
Polarizability
15.329303
Polar Surface Area
61.69
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
No Data Available
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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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