الاسم: 4-cyanopyrrolecarboxylic acid
SMILES:
N#Cc1c[nH]c(C(=O)O)c1Molecular Processing
Molecular formula
C6H4N2O2
Molecular weight
136.11
Exact mass
136.0273
XLogP
0.58
TPSA
76.88
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
10
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0
Molar refractivity
32.47
Supplementary Information
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