Molecule

ID:128490

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₂O₂
Molecular Mass
154.1665
Exact Mass
154.07422757
Charge
0
InChI
InChI=1S/C7H10N2O2/c1-3-6(10)8-5-9-7(11)4-2/h3-4H,1-2,5H2,(H,8,10)(H,9,11)
InChIKey
ZIUHHBKFKCYYJD-UHFFFAOYSA-N
Canonic Smiles
C=CC(=O)NCNC(=O)C=C
Isomeric Smiles
C=CC(=O)NCNC(=O)C=C
Calculated Properties
JChem
Acid pKa
13.675445
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.16206302
LogD (pH = 7.4)
-0.16206253
Log P
-0.16206251
Molar Refractivity
40.8611
Polarizability
15.584384
Polar Surface Area
58.2
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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