Molecule

ID:13480

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇NO
Molecular Mass
179.25878
Exact Mass
179.13101417
Charge
0
InChI
InChI=1S/C11H17NO/c1-9-6-7-11(13-9)8-12-10-4-2-3-5-10/h6-7,10,12H,2-5,8H2,1H3
InChIKey
XGCFNYDOXGOOMJ-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(o1)CNC1CCCC1
Isomeric Smiles
c1cc(oc1C)CNC1CCCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.8274347
LogD (pH = 7.4)
0.72654605
Log P
2.1461046
Molar Refractivity
53.2598
Polarizability
20.80264
Polar Surface Area
25.17
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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