Molecule
ID:41747
General Information
Molecular Formula
C₁₅H₁₇N₅O
Molecular Mass
283.32838
Exact Mass
283.14331019
Charge
0
InChI
InChI=1S/C15H17N5O/c16-13-4-2-12(3-5-13)14(21)19-8-10-20(11-9-19)15-17-6-1-7-18-15/h1-7H,8-11,16H2
InChIKey
AOXSDOHXFGXRBV-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(cc1)N)N1CCN(CC1)c1ncccn1
Isomeric Smiles
c1(N2CCN(C(=O)c3ccc(N)cc3)CC2)ncccn1
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
0.93103445
LogD (pH = 7.4)
0.9357672
Log P
0.93582773
Molar Refractivity
82.7891
Polarizability
29.89012
Polar Surface Area
75.35
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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
Loading...
Bioactivity
Loading...