ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7518958

Chemical ID:

7518958

Name [?]:

1-(3-chloro-4-methyl-phenyl)-N-(2-furylmethyl)-5-oxo-pyrrolidine-3-carboxamide

SMILES [?]:

Cc1ccc(cc1Cl)N2CC(CC2=O)C(=O)NCc3ccco3

InChi [?]:

InChI=1/C17H17ClN2O3/c1-11-4-5-13(8-15(11)18)20-10-12(7-16(20)21)17(22)19-9-14-3-2-6-23-14/h2-6,8,12H,7,9-10H2,1H3,(H,19,22)

InChi Info:

AuxInfo=1/1/N:1,21,20,3,4,22,12,6,18,10,2,11,5,19,7,13,15,8,17,9,14,16,23/rA:23cCCCCCCCClNCCCCOCONCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s10;s11;s9s12;d13;s11;d15;s15;s17;s18;d19;s20;d21;s19s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₇ClN₂O₃
All Atoms:	40
Heavy Atoms:	23
Chiral Atoms:	None

ZAP Information [?]

Total:	9.43877
Area:	542.978
Solvation:	-4.13567
Coulombic:	-42.0135

Bond Count [?]

All:	25
Single:	18
Double:	7
Rotors:	5
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	1.49
LogP (Chemaxon):	None

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value