O=C1C(=Cc2ccc(Cl)cc2)Cc2ccccc21
이름: 2-(4-chlorobenzylidene)indan-1-one
SMILES: O=C1C(=Cc2ccc(Cl)cc2)Cc2ccccc21

Molecular Processing

Molecular formula
C16H11ClO
Molecular weight
254.72
Exact mass
254.0498
XLogP
4.16
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
18
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.062
Molar refractivity
73.91

Supplementary Information

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