Molecule
ID:75389
General Information
Molecular Formula
C₁₀H₁₁NO₂
Molecular Mass
177.19984
Exact Mass
177.0789786
Charge
0
InChI
InChI=1S/C10H11NO2/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-7H,11H2,1H3
InChIKey
HYVLKRMLVXUWQE-UHFFFAOYSA-N
Canonic Smiles
COC(=O)/C=C/c1ccc(cc1)N
Isomeric Smiles
O(C(=O)/C=C/c1ccc(cc1)N)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.6727597
LogD (pH = 7.4)
1.6862134
Log P
1.6863877
Molar Refractivity
52.5294
Polarizability
19.426195
Polar Surface Area
52.32
Rotatable Bonds
3
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
No Data Available
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Related Proteins
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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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