The Nizofenone fumarate, with the CAS registry number 54533-86-7, is also known as NSC 315856. This chemical's molecular formula is C₂₅H₂₅ClN₄O₇ and molecular weight is 528.141177. Its IUPAC name is called (E)-but-2-enedioic acid; (2-chlorophenyl)-[2-[2-(diethylaminomethyl)imidazol-1-yl]-5-nitrophenyl]methanone. This chemical's classification codes are Drug / Therapeutic Agent and Reproductive Effect.

Physical properties of Nizofenone fumarate: (1)ACD/LogP: 4.25; (2)ACD/LogD (pH 5.5): 1.43; (3)ACD/LogD (pH 7.4): 2.98; (4)ACD/BCF (pH 5.5): 1.5; (5)ACD/BCF (pH 7.4): 54.35; (6)ACD/KOC (pH 5.5): 7.35; (7)ACD/KOC (pH 7.4): 266.02; (8)#H bond acceptors: 7; (9)#Freely Rotating Bonds: 8 ; (10)Flash Point: 322.5 °C; (11)Enthalpy of Vaporization: 90.56 kJ/mol; (12)Boiling Point: 609.7 °C at 760 mmHg; (13)Vapour Pressure: 8.3E-15 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)\C=C\C(=O)O.Clc1ccccc1C(=O)c3cc([N+]([O-])=O)ccc3n2ccnc2CN(CC)CC
(2)InChI: InChI=1/C21H21ClN4O3.C4H4O4/c1-3-24(4-2)14-20-23-11-12-25(20)19-10-9-15(26(28)29)13-17(19)21(27)16-7-5-6-8-18(16)22;5-3(6)1-2-4(7)8/h5-13H,3-4,14H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
(3)InChIKey: JDQAUUIBFFFOOV-WLHGVMLRBG

The toxicity data is as follows: