이름: dimethyl [(1-methylpyrazol-4-yl)amino]butenedicarboxylate
SMILES:
CCC(Nc1cnn(C)c1)=C(C(=O)OC)C(=O)OCMolecular Processing
Molecular formula
C12H17N3O4
Molecular weight
267.28
Exact mass
267.1219
XLogP
0.84
TPSA
82.45
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
19
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
68.18
Supplementary Information
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