Molecule

ID:27916

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₃N₃S
Molecular Mass
277.42822
Exact Mass
277.16126875
Charge
0
InChI
InChI=1S/C15H23N3S/c1-2-18-13(16-17-14(18)19)9-15-6-10-3-11(7-15)5-12(4-10)8-15/h10-12H,2-9H2,1H3,(H,17,19)
InChIKey
CQZHMRZVESCXHW-UHFFFAOYSA-N
Canonic Smiles
CCn1c(nnc1S)CC12CC3CC(C2)CC(C1)C3
Isomeric Smiles
n1(c(nnc1S)CC12CC3CC(C2)CC(C1)C3)CC
Calculated Properties
JChem
Acid pKa
8.1234
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.9097261
LogD (pH = 7.4)
2.8389452
Log P
2.9110863
Molar Refractivity
81.0919
Polarizability
30.923483
Polar Surface Area
30.71
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