Molecule

ID:30091

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO
Molecular Mass
177.2429
Exact Mass
177.11536411
Charge
0
InChI
InChI=1S/C11H15NO/c1-13-11-7-9-5-3-2-4-8(9)6-10(11)12/h6-7H,2-5,12H2,1H3
InChIKey
SQHFUZXUDPRJLI-UHFFFAOYSA-N
Canonic Smiles
COc1cc2CCCCc2cc1N
Isomeric Smiles
c1(c(cc2c(c1)CCCC2)OC)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.348086
LogD (pH = 7.4)
2.4376314
Log P
2.4389029
Molar Refractivity
54.7038
Polarizability
20.470238
Polar Surface Area
35.25
Rotatable Bonds
1
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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