Molecule

ID:41414

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇N₃O
Molecular Mass
255.31498
Exact Mass
255.13716218
Charge
0
InChI
InChI=1S/C15H17N3O/c1-10-11(2)18(15(17)14(10)8-16)9-12-4-6-13(19-3)7-5-12/h4-7H,9,17H2,1-3H3
InChIKey
AZRNGFJHWODADQ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)Cn1c(C)c(c(c1N)C#N)C
Isomeric Smiles
n1(c(c(c(c1C)C)C#N)N)Cc1ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.6730008
LogD (pH = 7.4)
2.673051
Log P
2.6730518
Molar Refractivity
76.6555
Polarizability
28.406727
Polar Surface Area
63.97
Rotatable Bonds
3
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