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Chemical ID: 7658308

Cc1ccn2c(c1)nc(c2NC(=O)c3cccc(c3)[N+](=O)[O-])c4ccc(cc4)F

Chemical ID:

7658308

Name [?]:

None

SMILES [?]:

Cc1ccn2c(c1)nc(c2NC(=O)c3cccc(c3)[N+](=O)[O-])c4ccc(cc4)F

InChi [?]:

InChI=1/C21H15FN4O3/c1-13-9-10-25-18(11-13)23-19(14-5-7-16(22)8-6-14)20(25)24-21(27)15-3-2-4-17(12-15)26(28)29/h2-12H,1H3,(H,24,27)

InChi Info:

AuxInfo=1/1/N:1,16,15,17,24,28,25,27,3,4,7,19,2,23,14,26,18,6,9,10,12,29,8,11,5,20,13,21,22/E:(5,6)(7,8)(28,29)/CRV:26.5/rA:29nCCCCNCCNCCNCOCCCCCCN+OO-CCCCCCF/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;s5d9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s18;d20;s20;s9;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₁₅FN₄O₃
All Atoms:	44
Heavy Atoms:	29
Chiral Atoms:	None

ZAP Information [?]

Total:	4.83222
Area:	596.349
Solvation:	-10.0765
Coulombic:	-47.3873

Bond Count [?]

All:	32
Single:	20
Double:	12
Rotors:	5
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.69
LogP (Chemaxon):	None

Name Annotations

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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