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3-{[6-(4-methylphenyl)pyridazin-3-yl]amino}benzoic acid

3-{[6-(4-methylphenyl)pyridazin-3-yl]amino}benzoic acid

CAS: 1119451-55-6

Formula: C18H15N3O2

SMILES: CC1=CC=C(C=C1)C1=CC=C(NC2=CC=CC(=C2)C(O)=O)N=N1

IUPAC: 3-{[6-(4-methylphenyl)pyridazin-3-yl]amino}benzoic acid

InChI: InChI=1S/C18H15N3O2/c1-12-5-7-13(8-6-12)16-9-10-17(21-20-16)19-15-4-2-3-14(11-15)18(22)23/h2-11H,1H3,(H,19,21)(H,22,23)

Composition: C (70.81%), H (4.95%), N (13.76%), O (10.48%)

Molar Mass: 305.337

Atom Count: 38

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 305.116426735
Formal Charge 0
FSP3 0.06
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey ILPKJCCKFNAVJR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 89.63
Topological Polar Surface Area 75.11
Polarizability 34.32
Ring Count 3
Rotatable Bond Count 4

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