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(-)-marinopyrrole A

(-)-marinopyrrole A

CAS: 1227962-62-0

Formula: C22H12Cl4N2O4

SMILES: OC1=CC=CC=C1C(=O)C1=CC(Cl)=C(Cl)N1C1=C(NC(Cl)=C1Cl)C(=O)C1=CC=CC=C1O

IUPAC: 2-[4,4',5,5'-tetrachloro-2'-(2-hydroxybenzoyl)-1'H-[1,3'-bipyrrole]-2-carbonyl]phenol

InChI: InChI=1S/C22H12Cl4N2O4/c23-12-9-13(19(31)10-5-1-3-7-14(10)29)28(22(12)26)18-16(24)21(25)27-17(18)20(32)11-6-2-4-8-15(11)30/h1-9,27,29-30H

Composition: C (51.80%), H (2.37%), Cl (27.80%), N (5.49%), O (12.54%)

Molar Mass: 510.15

Atom Count: 44

Heavy Atom Count: 32

Properties
Properties
Common Names (-)-marinopyrrole A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 507.9551177
Formal Charge 0
FSP3 0
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey QYPJBTMRYKRTFG-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 134.66
Topological Polar Surface Area 95.32
Polarizability 48.27
Ring Count 4
Rotatable Bond Count 4

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