Molecule

ID:81007

General Information
Structure
Molecular Formula
C₈H₁₂N₂O
Molecular Mass
152.19368
Exact Mass
152.09496301
Charge
0
InChI
InChI=1S/C8H12N2O/c1-8(6-9)7-10-2-4-11-5-3-10/h1-5,7H2
InChIKey
KTJFPJBVQJTSJW-UHFFFAOYSA-N
Canonic Smiles
N#CC(=C)CN1CCOCC1
Isomeric Smiles
N#CC(=C)CN1CCOCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.31997645
LogD (pH = 7.4)
0.36202493
Log P
0.36258823
Molar Refractivity
43.2038
Polarizability
16.556435
Polar Surface Area
36.26
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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