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Chemical ID: 6863150

c1ccc(c(c1)c2c(c(=O)c3cc(ccc3o2)Cl)OCc4cc(cc5c4OCOC5)[N+](=O)[O-])Cl

Chemical ID:

6863150

Name [?]:

6-chloro-2-(2-chlorophenyl)-3-[(9-nitro-3,5-dioxabicyclo[4.4.0]deca-6,8,10-trien-7-yl)methoxy]chromen-4-one

SMILES [?]:

c1ccc(c(c1)c2c(c(=O)c3cc(ccc3o2)Cl)OCc4cc(cc5c4OCOC5)[N+](=O)[O-])Cl

InChi [?]:

InChI=1/C24H15Cl2NO7/c25-15-5-6-20-18(9-15)21(28)24(23(34-20)17-3-1-2-4-19(17)26)32-11-14-8-16(27(29)30)7-13-10-31-12-33-22(13)14/h1-9H,10-12H2

InChi Info:

AuxInfo=1/0/N:1,2,6,3,14,15,24,22,12,30,20,28,25,21,13,23,5,11,4,16,9,26,7,8,18,34,31,10,32,33,29,19,27,17/E:(29,30)/CRV:27.5/rA:34nCCCCCCCCCOCCCCCCOClOCCCCCCCOCOCN+OO-Cl/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s9;s11;d12;s13;d14;d11s15;s7s16;s13;s8;s19;s20;s21;d22;s23;d24;d21s25;s26;s27;s28;s25s29;s23;d31;s31;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₁₅Cl₂NO₇
All Atoms:	49
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	6.92072
Area:	679.838
Solvation:	-10.0752
Coulombic:	-54.4954

Bond Count [?]

All:	38
Single:	26
Double:	12
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	500.284
H-Bond Donors:	0
H-Bond Acceptors:	7
XLogP:	6.14
LogP (Chemaxon):	5.81

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value