名称: 4-(6-bromo-10H-9-oxa-3-thiabenzo[f]azulen-4-ylidene)-1-methylpiperidine
SMILES:
CN1CCC(=C2c3cc(Br)ccc3OCc3ccsc32)CC1Molecular Processing
Molecular formula
C18H18BrNOS
Molecular weight
376.32
Exact mass
375.0292
XLogP
4.93
TPSA
12.47
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
22
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
95.55
Supplementary Information
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