Name: 4-methoxy-2-(1H-tetrazol-5-ylmethoxy)-5-thiophen-2-yl-benzaldehyde
SMILES:
COc1cc(OCc2nnn[nH]2)c(C=O)cc1-c1cccs1Molecular Processing
Molecular formula
C14H12N4O3S
Molecular weight
316.34
Exact mass
316.063
XLogP
2.33
TPSA
89.99
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
22
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
80.2
Supplementary Information
Details werden geladen…
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