Name: 2-methyl-2-(4-nitrophenoxymethyl)-2H-chromene
SMILES:
CC1(COc2ccc([N+](=O)[O-])cc2)C=Cc2ccccc2O1Molecular Processing
Molecular formula
C17H15NO4
Molecular weight
297.31
Exact mass
297.1001
XLogP
3.84
TPSA
61.6
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.176
Molar refractivity
83.1
Supplementary Information
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