Name: 2,6-di-(4-benzocyclobutenoxy)benzonitrile
SMILES:
N#Cc1c(Oc2ccc3c(c2)C=C3)cccc1Oc1ccc2c(c1)C=C2Molecular Processing
Molecular formula
C23H13NO2
Molecular weight
335.36
Exact mass
335.0946
XLogP
6.11
TPSA
42.25
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
26
Rings
5
Aromatic rings
3
Saturated rings
0
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0
Molar refractivity
102.05
Supplementary Information
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