Molecule

ID:84746

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁NO
Molecular Mass
173.21114
Exact Mass
173.08406398
Charge
0
InChI
InChI=1S/C11H11NO/c12-7-10-3-1-2-4-11(10)13-8-9-5-6-9/h1-4,9H,5-6,8H2
InChIKey
CHNJGSSTVQFKLP-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccccc1OCC1CC1
Isomeric Smiles
N#Cc1ccccc1OCC1CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.452248
LogD (pH = 7.4)
2.452248
Log P
2.452248
Molar Refractivity
50.1848
Polarizability
19.474234
Polar Surface Area
33.02
Rotatable Bonds
3
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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