CCOC(=O)C(C)(C)c1ccc(CN)cc1.Cl
SMILES: CCOC(=O)C(C)(C)c1ccc(CN)cc1.Cl

Molecular Processing

Molecular formula
C13H20ClNO2
Molecular weight
257.76
Exact mass
257.1183
XLogP
2.41
TPSA
52.32
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
2
Fraction Csp3
0.462
Molar refractivity
71.24

Supplementary Information

Details werden geladen…

An 1 Reaktionen beteiligt→

Erweiterte Suche

Teilstruktursuche→Ähnlichkeitssuche→