Molecule

ID:120323

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₇IN₂
Molecular Mass
362.29275
Exact Mass
362.12189687
Charge
0
InChI
InChI=1S/C15H26N2.HI/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17;/h12-15H,1-11H2;1H/t12?,13?,14-,15+;
InChIKey
GNYRFSRGJVIYQB-VZDLBMALSA-N
Canonic Smiles
C1CC[C@@H]2N(C1)CC1CC2CN2[C@@H]1CCCC2.I
Isomeric Smiles
N12[C@@H](C3CN4[C@H](C(C1)C3)CCCC4)CCCC2.I
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-3.3671618
LogD (pH = 7.4)
-0.38936847
Log P
2.0278275
Molar Refractivity
71.823
Polarizability
28.518066
Polar Surface Area
6.48
Rotatable Bonds
0
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