Molecule

ID:29516

General Information
Structure
MolImage
Molecular Formula
C₂₉H₃₇NO₂
Molecular Mass
431.60958
Exact Mass
431.28242943
Charge
0
InChI
InChI=1S/C29H37NO2/c1-2-3-4-5-9-22-31-28-18-14-26(15-19-28)24-30-27-16-20-29(21-17-27)32-23-10-13-25-11-7-6-8-12-25/h6-8,11-12,14-21,30H,2-5,9-10,13,22-24H2,1H3
InChIKey
VVODEWHIBZDFEB-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCOc1ccc(cc1)CNc1ccc(cc1)OCCCc1ccccc1
Isomeric Smiles
N(c1ccc(cc1)OCCCc1ccccc1)Cc1ccc(cc1)OCCCCCCC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
7.8640523
LogD (pH = 7.4)
7.968946
Log P
7.9704623
Molar Refractivity
135.436
Polarizability
52.260807
Polar Surface Area
30.49
Rotatable Bonds
15
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
暂无数据
点击上传数据
References
Bioactivity
Navigation