Summary
Fragment ID 11082
Isomeric SMILES CC(NC1C=CC=C1)N
InChI N/A
InChI key N/A
Terminal True
Shared False
Unfragmented False
Rule Of Three True
Standard Atoms True
Butyl Linker None
Molecular Properties
MW 124.18
Heavy Atoms 9
Carbons 7
Heteroatoms 2
Halides 0
Het/Carb Ratio 0.29
Formal Charge Count 0
Formal Charge Sum 0
Chiral Centers 0
Bonds 9
Rotable Bonds 2
Ring Systems 1
Aromatic Ring Systems 0
Lipinski Hydrogen Bond Donors 2
Lipinski Hydrogen Bond Acceptors 2
Topological PSA 38.05
XLogP 1.073
Fraction C sp3 0.428571