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Chemical ID: 5710275

CCCCCCN1C(C(=C(c2ccccc2)O)C(=O)C1=O)c3cccc(c3)N(=O)=O

Chemical ID:

5710275

Name [?]:

1-hexyl-4-(hydroxy-phenyl-methylene)-5-(3-nitrophenyl)-pyrrolidine-2,3-dione

SMILES [?]:

CCCCCCN1C(C(=C(c2ccccc2)O)C(=O)C1=O)c3cccc(c3)N(=O)=O

InChi [?]:

InChI=1/C23H24N2O5/c1-2-3-4-8-14-24-20(17-12-9-13-18(15-17)25(29)30)19(22(27)23(24)28)21(26)16-10-6-5-7-11-16/h5-7,9-13,15,20,26H,2-4,8,14H2,1H3

InChi Info:

AuxInfo=1/0/N:1,2,3,4,14,13,15,5,24,12,16,23,25,6,27,11,22,26,9,8,10,18,20,7,28,17,19,21,29,30/E:(6,7)(10,11)(29,30)/CRV:25.5/rA:30cCCCCCCNCCCCCCCCCOCOCOCCCCCCNOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;w9;s10;s11;d12;s13;d14;d11s15;s10;s9;d18;s7s18;d20;s8;s22;d23;s24;d25;d22s26;s26;d28;d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₄N₂O₅
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	1

ZAP Information [?]

Total:	6.41276
Area:	600.869
Solvation:	-8.60898
Coulombic:	-57.7598

Bond Count [?]

All:	32
Single:	21
Double:	11
Rotors:	8
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	408.447
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	4.93
LogP (Chemaxon):	3.73

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