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Chemical ID: 7703743

CCOc1cc(ccc1OCc2ccc(cc2)Cl)C=NNC(=O)C(C)Oc3ccccc3[N+](=O)[O-]

Chemical ID:

7703743

Name [?]:

None

SMILES [?]:

CCOc1cc(ccc1OCc2ccc(cc2)Cl)C=NNC(=O)C(C)Oc3ccccc3[N+](=O)[O-]

InChi [?]:

InChI=1/C25H24ClN3O6/c1-3-33-24-14-19(10-13-23(24)34-16-18-8-11-20(26)12-9-18)15-27-28-25(30)17(2)35-22-7-5-4-6-21(22)29(31)32/h4-15,17H,3,16H2,1-2H3,(H,28,30)

InChi Info:

AuxInfo=1/1/N:1,25,2,30,29,31,28,13,17,7,14,16,8,5,19,11,24,12,6,15,32,27,9,4,22,18,20,21,33,23,34,35,3,10,26/E:(8,9)(11,12)(31,32)/CRV:29.5/rA:35cCCOCCCCCCOCCCCCCCClCNNCOCCOCCCCCCN+OO-/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s15;s6;w19;s20;s21;d22;s22;s24;s24;s26;s27;d28;s29;d30;d27s31;s32;d33;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₄ClN₃O₆
All Atoms:	59
Heavy Atoms:	35
Chiral Atoms:	None

ZAP Information [?]

Total:	1.79294
Area:	755.955
Solvation:	-17.1059
Coulombic:	-50.2989

Bond Count [?]

All:	37
Single:	25
Double:	12
Rotors:	12
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	6.29
LogP (Chemaxon):	None

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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

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