Molecule

ID:57387

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₉N₃
Molecular Mass
193.28866
Exact Mass
193.15789762
Charge
0
InChI
InChI=1S/C11H19N3/c1-10(13-8-9-14(2)3)11-4-6-12-7-5-11/h4-7,10,13H,8-9H2,1-3H3
InChIKey
NJKLDKVSRPAXMJ-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccncc1)NCCN(C)C
Isomeric Smiles
c1nccc(c1)C(NCCN(C)C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.5319004
LogD (pH = 7.4)
-1.0851655
Log P
0.74914175
Molar Refractivity
59.587
Polarizability
23.555254
Polar Surface Area
28.16
Rotatable Bonds
5
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