O=C(CCCCl)NCCc1ccccc1
Name: N-(2-phenylethyl)-4-chlorobutyramide
SMILES: O=C(CCCCl)NCCc1ccccc1

Molecular Processing

Molecular formula
C12H16ClNO
Molecular weight
225.72
Exact mass
225.092
XLogP
2.36
TPSA
29.1
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
6
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
63.11

Supplementary Information

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