COC1=C(C2=C(C=C1)C(=CC(=O)O2)NC3=C(C=NC=C3Cl)Cl)O
Name: 4-[(3,5-dichloro-4-pyridinyl)amino]-8-hydroxy-7-methoxychromen-2-one
SMILES: COC1=C(C2=C(C=C1)C(=CC(=O)O2)NC3=C(C=NC=C3Cl)Cl)O

Molecular Processing

Molecular formula
C15H10Cl2N2O4
Molecular weight
353.16
Exact mass
352.0018
XLogP
3.95
TPSA
84.59
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
23
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.067
Molar refractivity
88.24

Supplementary Information

InChIKey: LUUQTCGUQOTPCS-UHFFFAOYSA-N
Synonyme
SCHEMBL3674705LUUQTCGUQOTPCS-UHFFFAOYSA-N4-(3,5-dichloropyridin-4-ylamino)-8-hydroxy-7-methoxy-2H-chromen-2-one
Quelle anzeigen →
An 47 Reaktionen beteiligt→

Erweiterte Suche

Teilstruktursuche→Ähnlichkeitssuche→