Molecule

ID:62790

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄N₄O
Molecular Mass
276.37726
Exact Mass
276.19501141
Charge
0
InChI
InChI=1S/C15H24N4O/c1-11-10-13(4-5-14(20)19(2)3)18-15(17-11)12-6-8-16-9-7-12/h10,12,16H,4-9H2,1-3H3
InChIKey
SWUHQSAIMXQINS-UHFFFAOYSA-N
Canonic Smiles
O=C(N(C)C)CCc1cc(C)nc(n1)C1CCNCC1
Isomeric Smiles
c1(nc(cc(n1)C)CCC(=O)N(C)C)C1CCNCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.8817346
LogD (pH = 7.4)
-1.9810398
Log P
0.4469052
Molar Refractivity
79.4702
Polarizability
30.644701
Polar Surface Area
58.12
Rotatable Bonds
4
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