Summary
Fragment ID 189741
Isomeric SMILES NC(c1ccc(cc1)c1ccc(o1)c1ccc(cc1)C(N)N)N
InChI N/A
InChI key N/A
Terminal False
Shared True
Unfragmented False
Rule Of Three False
Standard Atoms True
Butyl Linker None
Molecular Properties
MW 308.38
Heavy Atoms 23
Carbons 18
Heteroatoms 5
Halides 0
Het/Carb Ratio 0.28
Formal Charge Count 0
Formal Charge Sum 0
Chiral Centers 0
Bonds 25
Rotable Bonds 4
Ring Systems 3
Aromatic Ring Systems 3
Lipinski Hydrogen Bond Donors 4
Lipinski Hydrogen Bond Acceptors 5
Topological PSA 117.22
XLogP 2.226
Fraction C sp3 0.111111