Molecule

ID:69672

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀N₂O
Molecular Mass
114.1457
Exact Mass
114.07931295
Charge
0
InChI
InChI=1S/C5H10N2O/c6-5(8)4-2-1-3-7-4/h4,7H,1-3H2,(H2,6,8)/t4-/m0/s1
InChIKey
VLJNHYLEOZPXFW-BYPYZUCNSA-N
Canonic Smiles
NC(=O)[C@@H]1CCCN1
Isomeric Smiles
C(=O)([C@H]1NCCC1)N
Calculated Properties
JChem
LogD (pH = 7.4)
-3.26
LogD (pH = 5.5)
-4.11
Log P
-0.90
Rotatable Bonds
1
H Donor
2
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
9.81
Polar Surface Area
55.12
Polarizability
11.96
Molar Refractivity
29.89
LOG S
0.10
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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