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Chemical ID: 7167198

Cc1ccc(c(c1)[N+](=O)[O-])OCc2ccc(o2)c3nc4c5c(c(sc5ncn4n3)C)C

Chemical ID:

7167198

Name [?]:

None

SMILES [?]:

Cc1ccc(c(c1)[N+](=O)[O-])OCc2ccc(o2)c3nc4c5c(c(sc5ncn4n3)C)C

InChi [?]:

InChI=1/C21H17N5O4S/c1-11-4-6-16(15(8-11)26(27)28)29-9-14-5-7-17(30-14)19-23-20-18-12(2)13(3)31-21(18)22-10-25(20)24-19/h4-8,10H,9H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,31,30,3,14,4,15,7,12,27,2,22,23,13,6,5,16,21,18,20,25,26,19,29,28,8,9,10,11,17,24/E:(27,28)/CRV:26.5/rA:31nCCCCCCCN+OO-OCCCCCOCNCCCCSCNCNNCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s5;s11;s12;d13;s14;d15;s13s16;s16;s18;d19;s20;s21;d22;s23;d21s24;s25;d26;s20s27;d18s28;s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₁₇N₅O₄S
All Atoms:	48
Heavy Atoms:	31
Chiral Atoms:	None

ZAP Information [?]

Total:	5.42373
Area:	659.354
Solvation:	-11.0601
Coulombic:	-43.7469

Bond Count [?]

All:	35
Single:	24
Double:	11
Rotors:	5
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.11
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