이름: 2,6-Dinitro-1-(2-phenylchroman-6-yloxy)-4-trifluoromethylbenzene
SMILES:
O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Oc1ccc2c(c1)CCC(c1ccccc1)O2Molecular Processing
Molecular formula
C22H15F3N2O6
Molecular weight
460.36
Exact mass
460.0882
XLogP
6.38
TPSA
104.74
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
109.4
Supplementary Information
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