Molecule

ID:42736

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₈N₂OS
Molecular Mass
286.39192
Exact Mass
286.11398421
Charge
0
InChI
InChI=1S/C16H18N2OS/c19-12-15-11-17-16(20-15)18-8-6-14(7-9-18)10-13-4-2-1-3-5-13/h1-5,11-12,14H,6-10H2
InChIKey
FHIMEHYUGUTTTB-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cnc(s1)N1CCC(CC1)Cc1ccccc1
Isomeric Smiles
c1(ncc(s1)C=O)N1CCC(Cc2ccccc2)CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.9849734
LogD (pH = 7.4)
3.9850314
Log P
3.985032
Molar Refractivity
82.923
Polarizability
30.984142
Polar Surface Area
33.2
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