Molecule

ID:81520

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁NO
Molecular Mass
161.20044
Exact Mass
161.08406398
Charge
0
InChI
InChI=1S/C10H11NO/c1-9(11-12)7-8-10-5-3-2-4-6-10/h2-8,12H,1H3
InChIKey
OGVPVEBIPIJKEJ-UHFFFAOYSA-N
Canonic Smiles
O/N=C(/C=C/c1ccccc1)\C
Isomeric Smiles
N(=C(\C=C\c1ccccc1)/C)/O
Calculated Properties
JChem
Acid pKa
11.433268
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.4729366
LogD (pH = 7.4)
2.4751203
Log P
2.4751916
Molar Refractivity
50.4327
Polarizability
18.961168
Polar Surface Area
32.59
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
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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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