Molecule

ID:24384

General Information
Structure
MolImage
Molecular Formula
C₉H₂₁N₃O
Molecular Mass
187.28254
Exact Mass
187.16846231
Charge
0
InChI
InChI=1S/C9H21N3O/c1-3-6-12(7-4-2)8-5-9(13)11-10/h3-8,10H2,1-2H3,(H,11,13)
InChIKey
TWCAQEDIEJTCQP-UHFFFAOYSA-N
Canonic Smiles
CCCN(CCC)CCC(=O)NN
Isomeric Smiles
C(=O)(CCN(CCC)CCC)NN
Calculated Properties
JChem
Acid pKa
13.541383
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.918821
LogD (pH = 7.4)
-2.1901746
Log P
0.5604079
Molar Refractivity
55.6236
Polarizability
21.466948
Polar Surface Area
58.36
Rotatable Bonds
7
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