Molecule

ID:101218

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃NO
Molecular Mass
175.22702
Exact Mass
175.09971404
Charge
0
InChI
InChI=1S/C11H13NO/c13-9-10-4-3-5-11(8-10)12-6-1-2-7-12/h3-5,8-9H,1-2,6-7H2
InChIKey
KELYFFMWYRNGTF-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccc(c1)N1CCCC1
Isomeric Smiles
N1(c2cc(C=O)ccc2)CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1836262
LogD (pH = 7.4)
2.199385
Log P
2.1995895
Molar Refractivity
54.6116
Polarizability
20.00029
Polar Surface Area
20.31
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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