Molecule

ID:33039

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇N₃O
Molecular Mass
207.27218
Exact Mass
207.13716218
Charge
0
InChI
InChI=1S/C11H17N3O/c12-9-11(10-3-1-2-4-13-10)14-5-7-15-8-6-14/h1-4,11H,5-9,12H2
InChIKey
GNWXOVBWLWNRLH-UHFFFAOYSA-N
Canonic Smiles
NCC(c1ccccn1)N1CCOCC1
Isomeric Smiles
N1(C(c2ncccc2)CN)CCOCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.8620646
LogD (pH = 7.4)
-1.3939713
Log P
-0.025085926
Molar Refractivity
58.6912
Polarizability
23.491411
Polar Surface Area
51.38
Rotatable Bonds
3
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