Molecule

ID:53697

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃N₃O
Molecular Mass
203.24042
Exact Mass
203.10586205
Charge
0
InChI
InChI=1S/C11H13N3O/c1-2-4-10-9(3-1)11(13-15-10)14-7-5-12-6-8-14/h1-4,12H,5-8H2
InChIKey
ZDFQBFVFCPABKQ-UHFFFAOYSA-N
Canonic Smiles
N1CCN(CC1)c1noc2c1cccc2
Isomeric Smiles
o1nc(c2ccccc12)N1CCNCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.3805356
LogD (pH = 7.4)
0.23514566
Log P
1.5232421
Molar Refractivity
59.3252
Polarizability
23.131607
Polar Surface Area
41.3
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