Molecule

ID:80715

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅N₃O
Molecular Mass
193.2456
Exact Mass
193.12151212
Charge
0
InChI
InChI=1S/C10H15N3O/c14-8-9-2-6-13(7-3-9)10-11-4-1-5-12-10/h1,4-5,9,14H,2-3,6-8H2
InChIKey
ZUNGTEUNVMHDIX-UHFFFAOYSA-N
Canonic Smiles
OCC1CCN(CC1)c1ncccn1
Isomeric Smiles
N1(c2ncccn2)CCC(CC1)CO
Calculated Properties
JChem
Acid pKa
15.467147
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.6129737
LogD (pH = 7.4)
0.61519724
Log P
0.6152257
Molar Refractivity
55.6392
Polarizability
20.624681
Polar Surface Area
49.25
Rotatable Bonds
2
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