Molecule

ID:24400

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇N₃O
Molecular Mass
207.27218
Exact Mass
207.13716218
Charge
0
InChI
InChI=1S/C11H17N3O/c1-14(8-7-11(15)13-12)9-10-5-3-2-4-6-10/h2-6H,7-9,12H2,1H3,(H,13,15)
InChIKey
WWTODVZRZXGXQF-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)CCN(Cc1ccccc1)C
Isomeric Smiles
C(=O)(CCN(Cc1ccccc1)C)NN
Calculated Properties
JChem
Acid pKa
13.207057
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.665107
LogD (pH = 7.4)
-1.0583224
Log P
0.5262203
Molar Refractivity
61.691
Polarizability
23.696054
Polar Surface Area
58.36
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