Molecule

ID:53079

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀N₂O
Molecular Mass
150.1778
Exact Mass
150.07931295
Charge
0
InChI
InChI=1S/C8H10N2O/c11-6-7-5-8-3-1-2-4-10(8)9-7/h5-6H,1-4H2
InChIKey
XCQQWVWOKJBFCQ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc2n(n1)CCCC2
Isomeric Smiles
C1Cn2c(CC1)cc(n2)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4812658
LogD (pH = 7.4)
1.4812708
Log P
1.4812708
Molar Refractivity
53.7033
Polarizability
15.531317
Polar Surface Area
34.89
Rotatable Bonds
1
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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