Molecule

ID:29393

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₉NO₃
Molecular Mass
343.45986
Exact Mass
343.21474379
Charge
0
InChI
InChI=1S/C21H29NO3/c1-21(2,3)17-5-9-19(10-6-17)24-14-13-22-18-7-11-20(12-8-18)25-16-15-23-4/h5-12,22H,13-16H2,1-4H3
InChIKey
NNEPHBXOYUGMOV-UHFFFAOYSA-N
Canonic Smiles
COCCOc1ccc(cc1)NCCOc1ccc(cc1)C(C)(C)C
Isomeric Smiles
C(c1ccc(cc1)OCCNc1ccc(cc1)OCCOC)(C)(C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
4.26375
LogD (pH = 7.4)
4.4279284
Log P
4.430483
Molar Refractivity
102.9766
Polarizability
39.608604
Polar Surface Area
39.72
Rotatable Bonds
10
Lipinski's Rule of Five
true
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