Molecule

ID:9989

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁NO₂
Molecular Mass
177.19984
Exact Mass
177.0789786
Charge
0
InChI
InChI=1S/C10H11NO2/c1-8-3-5-10(6-4-8)7-9(2)11(12)13/h3-7H,1-2H3/b9-7+
InChIKey
JEKFDNFWPBWEKO-VQHVLOKHSA-N
Canonic Smiles
C/C(=C\c1ccc(cc1)C)/[N+](=O)[O-]
Isomeric Smiles
C(=C\c1ccc(cc1)C)(/[N+](=O)[O-])\C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.7224088
LogD (pH = 7.4)
2.7224088
Log P
2.7224088
Molar Refractivity
51.9044
Polarizability
19.343224
Polar Surface Area
43.14
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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