Summary
Fragment ID 1343
Isomeric SMILES NC1C=CC=C1
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 81.12
Heavy Atoms 6
Carbons 5
Heteroatoms 1
Halides 0
Het/Carb Ratio 0.2
Formal Charge Count 0
Formal Charge Sum 0
Chiral Centers 0
Bonds 6
Rotable Bonds 0
Ring Systems 1
Aromatic Ring Systems 0
Lipinski Hydrogen Bond Donors 1
Lipinski Hydrogen Bond Acceptors 1
Topological PSA 26.02
XLogP 0.609
Fraction C sp3 0.2