Molecule

ID:110393

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₉NO₃
Molecular Mass
307.42776
Exact Mass
307.21474379
Charge
0
InChI
InChI=1S/C18H29NO3/c1-2-3-4-5-6-7-8-9-10-11-16-22-18-14-12-17(13-15-18)19(20)21/h12-15H,2-11,16H2,1H3
InChIKey
VZOAOBWVYOLSII-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCOc1ccc(cc1)[N+](=O)[O-]
Isomeric Smiles
CCCCCCCCCCCCOc1ccc(cc1)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
6.6360073
LogD (pH = 7.4)
6.6360073
Log P
6.6360073
Molar Refractivity
90.5275
Polarizability
34.956287
Polar Surface Area
55.05
Rotatable Bonds
13
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation