Summary
Fragment ID 146241
Isomeric SMILES NC(c1ccc(cc1)c1ccco1)NC1C=CC=C1
InChI N/A
InChI key N/A
Terminal False
Shared False
Unfragmented False
Rule Of Three False
Standard Atoms True
Butyl Linker None
Molecular Properties
MW 252.31
Heavy Atoms 19
Carbons 16
Heteroatoms 3
Halides 0
Het/Carb Ratio 0.19
Formal Charge Count 0
Formal Charge Sum 0
Chiral Centers 0
Bonds 21
Rotable Bonds 4
Ring Systems 3
Aromatic Ring Systems 2
Lipinski Hydrogen Bond Donors 2
Lipinski Hydrogen Bond Acceptors 3
Topological PSA 51.19
XLogP 3.122
Fraction C sp3 0.125