Название: 4-(1-(5-chloro-2-(3-(3-fluorobenzoyl)azetidin-1-yl)nicotinamido)cyclopropyl)benzoic acid
SMILES:
O=C(O)c1ccc(C2(NC(=O)c3cc(Cl)cnc3N3CC(C(=O)c4cccc(F)c4)C3)CC2)cc1Molecular Processing
Molecular formula
C26H21ClFN3O4
Molecular weight
493.92
Exact mass
493.1205
XLogP
4.31
TPSA
99.6
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
35
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
127.46
Supplementary Information
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