Nombre: 2-but-1-ynyl-5-fluoroaniline
SMILES:
CCC#CC1=C(C=C(C=C1)F)NMolecular Processing
Molecular formula
C10H10FN
Molecular weight
163.19
Exact mass
163.0797
XLogP
2.17
TPSA
26.02
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
47.98
Supplementary Information
InChIKey: NLSCLGDIVCYYSB-UHFFFAOYSA-N
Sinónimos
2-but-1-ynyl-5-fluoro-phenylamineSCHEMBL550471NLSCLGDIVCYYSB-UHFFFAOYSA-N
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