Molecule

ID:75139

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇N₃O₂
Molecular Mass
259.30368
Exact Mass
259.1320768
Charge
0
InChI
InChI=1S/C14H17N3O2/c15-9-10-5-7-16(8-6-10)17-13(18)11-3-1-2-4-12(11)14(17)19/h1-4,10H,5-9,15H2
InChIKey
XUOVHYFKGIPLHC-UHFFFAOYSA-N
Canonic Smiles
NCC1CCN(CC1)N1C(=O)c2c(C1=O)cccc2
Isomeric Smiles
N1(N2CCC(CN)CC2)C(=O)c2ccccc2C1=O
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.78974
LogD (pH = 7.4)
-2.3770828
Log P
0.23449604
Molar Refractivity
72.608
Polarizability
27.406704
Polar Surface Area
66.64
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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