CCOC(=O)c1cnn(C2CC2)c1Cl
الاسم: 5-Chloro-1-cyclopropyl-1H-pyrazole-4-carboxylic acid ethyl ester
SMILES: CCOC(=O)c1cnn(C2CC2)c1Cl

Molecular Processing

Molecular formula
C9H11ClN2O2
Molecular weight
214.65
Exact mass
214.0509
XLogP
2.05
TPSA
44.12
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
51.46

Supplementary Information

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