Molecule

ID:121231

General Information
Structure
MolImage
Molecular Formula
C₄H₁₀N₂O
Molecular Mass
102.135
Exact Mass
102.07931295
Charge
0
InChI
InChI=1S/C4H10N2O/c1-4(7)6-3-2-5/h2-3,5H2,1H3,(H,6,7)
InChIKey
DAKZISABEDGGSV-UHFFFAOYSA-N
Canonic Smiles
CC(=O)NCCN
Isomeric Smiles
C(=O)(NCCN)C
Calculated Properties
JChem
Acid pKa
16.307186
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-4.5454044
LogD (pH = 7.4)
-3.3517225
Log P
-1.6035961
Molar Refractivity
27.3124
Polarizability
10.84336
Polar Surface Area
55.12
Rotatable Bonds
2
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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