Name: 3-(4-(cyclopropanecarbonyl)piperazine-1-carbonyl)benzoic acid
SMILES:
O=C(O)c1cccc(C(=O)N2CCN(C(=O)C3CC3)CC2)c1Molecular Processing
Molecular formula
C16H18N2O4
Molecular weight
302.33
Exact mass
302.1267
XLogP
1.08
TPSA
77.92
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
22
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
78.61
Supplementary Information
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