CC(C)(C)C1=C(C(=CC(=C1)CCC(=O)O)N2N=C3C=CC(=CC3=N2)Cl)O
Название: 3-[3-tert-butyl-5-(5-chlorobenzotriazol-2-yl)-4-hydroxyphenyl]propanoic acid
SMILES: CC(C)(C)C1=C(C(=CC(=C1)CCC(=O)O)N2N=C3C=CC(=CC3=N2)Cl)O

Molecular Processing

Molecular formula
C19H20ClN3O3
Molecular weight
373.84
Exact mass
373.1193
XLogP
4.09
TPSA
88.24
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
26
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.316
Molar refractivity
100.2

Supplementary Information

InChIKey: NFORJTXNUVBLOK-UHFFFAOYSA-N
Синонимы
SCHEMBL101259SCHEMBL293655663-(5-chloro-2H-benzotriazol-2-yl)-5-tert-butyl-4-hydroxyhydrocinnamic acid3-(5-Chlorobenzotriazol-2-yl)-5-tert-butyl-4-hydroxyhydrocinnamic acid3-(5-chloro-2H-benzotriazol-2-yl)-5-(1,1-dimethylethyl)-4-hydroxy benzene propanoic acid
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