Molecule

ID:16189

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀N₂O
Molecular Mass
114.1457
Exact Mass
114.07931295
Charge
0
InChI
InChI=1S/C5H10N2O/c1-4-5(8)7-3-2-6-4/h4,6H,2-3H2,1H3,(H,7,8)
InChIKey
BSPUWRUTIOUGMZ-UHFFFAOYSA-N
Canonic Smiles
CC1NCCNC1=O
Isomeric Smiles
C1(=O)NCCNC1C
Calculated Properties
JChem
Acid pKa
14.503621
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.565523
LogD (pH = 7.4)
-1.1006912
Log P
-0.9009224
Molar Refractivity
30.0218
Polarizability
11.95924
Polar Surface Area
41.13
Rotatable Bonds
0
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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