Molecule

ID:48515

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇N₃
Molecular Mass
191.27278
Exact Mass
191.14224756
Charge
0
InChI
InChI=1S/C11H17N3/c1-9-4-7-14(8-5-9)11-10(12)3-2-6-13-11/h2-3,6,9H,4-5,7-8,12H2,1H3
InChIKey
JNBHCONHFUNVNI-UHFFFAOYSA-N
Canonic Smiles
CC1CCN(CC1)c1ncccc1N
Isomeric Smiles
N1(c2ncccc2N)CCC(CC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.5558453
LogD (pH = 7.4)
1.6247785
Log P
1.7665341
Molar Refractivity
60.0342
Polarizability
22.031487
Polar Surface Area
42.15
Rotatable Bonds
1
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