(3E,5E)-3,5-bis[(3,4-dichlorophenyl)methylidene]piperidin-4-one

(3E,5E)-3,5-bis[(3,4-dichlorophenyl)methylidene]piperidin-4-one

CAS: 145888-79-5

Formula: C19H13Cl4NO

SMILES: ClC1=C(Cl)C=C(C=C2/CNCC(=C/C3=CC(Cl)=C(Cl)C=C3)C2=O)C=C1

IUPAC: (3E,5E)-3,5-bis[(3,4-dichlorophenyl)methylidene]piperidin-4-one

InChI: InChI=1S/C19H13Cl4NO/c20-15-3-1-11(7-17(15)22)5-13-9-24-10-14(19(13)25)6-12-2-4-16(21)18(23)8-12/h1-8,24H,9-10H2/b13-5+,14-6+

Composition: C (55.24%), H (3.17%), Cl (34.32%), N (3.39%), O (3.87%)

Molar Mass: 413.12

Atom Count: 38

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	410.9751248
Formal Charge	0
FSP3	0.11
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	GJPXGFGIFQWUOC-ACFHMISVSA-N
Lipinski's Rule of Five
Molar Refractivity	106.68
Topological Polar Surface Area	29.1
Polarizability	40.75
Ring Count	3
Rotatable Bond Count	2

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