COc1cc(OCC2CC2)c(C=O)cc1-c1cccs1
이름: 2-cyclopropylmethoxy-4-methoxy-5-thiophen-2-yl-benzaldehyde
SMILES: COc1cc(OCC2CC2)c(C=O)cc1-c1cccs1

Molecular Processing

Molecular formula
C16H16O3S
Molecular weight
288.37
Exact mass
288.082
XLogP
4.03
TPSA
35.53
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
20
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.312
Molar refractivity
79.91

Supplementary Information

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