CCOC(=O)C1=C(C)NC(C)=C(C(=O)O)C1c1cccc(Cl)c1
Name: 4-(3-chlorophenyl)-3-(ethoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridine-5-carboxylic acid
SMILES: CCOC(=O)C1=C(C)NC(C)=C(C(=O)O)C1c1cccc(Cl)c1

Molecular Processing

Molecular formula
C17H18ClNO4
Molecular weight
335.79
Exact mass
335.0924
XLogP
3.22
TPSA
75.63
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
23
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.294
Molar refractivity
87

Supplementary Information

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