이름: 4-cyano-3-(2-methyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-benzoic acid methyl ester
SMILES:
COC(=O)c1ccc(C#N)c(-c2c(C)nn3c2CCC3)c1Molecular Processing
Molecular formula
C16H15N3O2
Molecular weight
281.31
Exact mass
281.1164
XLogP
2.46
TPSA
67.91
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.312
Molar refractivity
76.78
Supplementary Information
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