이름: 1-cyclopropyl-4-isothiocyanatonaphthalene
SMILES:
S=C=Nc1ccc(C2CC2)c2ccccc12Molecular Processing
Molecular formula
C14H11NS
Molecular weight
225.32
Exact mass
225.0612
XLogP
4.45
TPSA
12.36
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
16
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.214
Molar refractivity
70.61
Supplementary Information
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