Molecule

ID:86967

General Information
Structure
MolImage
Molecular Formula
C₄H₁₀N₂O
Molecular Mass
102.135
Exact Mass
102.07931295
Charge
0
InChI
InChI=1S/C4H10N2O/c1-2-3-6-4(5)7/h2-3H2,1H3,(H3,5,6,7)
InChIKey
ZQZJKHIIQFPZCS-UHFFFAOYSA-N
Canonic Smiles
CCCNC(=O)N
Isomeric Smiles
O=C(NCCC)N
Calculated Properties
JChem
Acid pKa
15.841962
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
-0.26082748
LogD (pH = 7.4)
-0.26082745
Log P
-0.26082745
Molar Refractivity
27.3119
Polarizability
10.468231
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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