名称: 2-[9-chloro-6-(3-hydroxy-3-methylbut-1-yn-1-yl)-1H-phenanthro[9,10-d]imidazol-2-yl]isophthalonitrile
SMILES:
CC(C)(O)C#Cc1ccc2c(c1)c1cc(Cl)ccc1c1[nH]c(-c3c(C#N)cccc3C#N)nc21Molecular Processing
Molecular formula
C28H17ClN4O
Molecular weight
460.92
Exact mass
460.1091
XLogP
6.06
TPSA
96.49
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
34
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.107
Molar refractivity
134.16
Supplementary Information
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