이름: 5-cyano-6-(2-nitro-5-phenoxy-phenyl)-4-(tetrahydro-pyran-4-yl)-hex-5-enoic acid
SMILES:
N#CC(=Cc1cc(Oc2ccccc2)ccc1[N+](=O)[O-])C(CCC(=O)O)C1CCOCC1Molecular Processing
Molecular formula
C24H24N2O6
Molecular weight
436.46
Exact mass
436.1634
XLogP
5.2
TPSA
122.69
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
117.11
Supplementary Information
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