Molecule

ID:75972

General Information
Structure
MolImage
Molecular Formula
C₄H₁₀N₂O
Molecular Mass
102.135
Exact Mass
102.07931295
Charge
0
InChI
InChI=1S/C4H10N2O/c1-2-3-4(5)6-7/h7H,2-3H2,1H3,(H2,5,6)
InChIKey
OPENCMFJZQABIY-UHFFFAOYSA-N
Canonic Smiles
CCCC(=N)NO
Isomeric Smiles
N(C(=N)CCC)O
Calculated Properties
JChem
Acid pKa
14.93543
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-2.059702
LogD (pH = 7.4)
-0.827674
Log P
0.24629597
Molar Refractivity
48.5453
Polarizability
10.6000805
Polar Surface Area
56.11
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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