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Chemical ID: 7677759

c1ccc(cc1)n2c3c(c(=O)n(cn3)CC(=O)Nc4ccc5c(c4)OCO5)nn2

Chemical ID:

7677759

Name [?]:

None

SMILES [?]:

c1ccc(cc1)n2c3c(c(=O)n(cn3)CC(=O)Nc4ccc5c(c4)OCO5)nn2

InChi [?]:

InChI=1/C19H14N6O4/c26-16(21-12-6-7-14-15(8-12)29-11-28-14)9-24-10-20-18-17(19(24)27)22-23-25(18)13-4-2-1-3-5-13/h1-8,10H,9,11H2,(H,21,26)

InChi Info:

AuxInfo=1/1/N:1,2,6,3,5,20,21,24,15,13,26,19,4,22,23,16,9,8,10,14,18,28,29,12,7,17,11,27,25/E:(2,3)(4,5)/rA:29nCCCCCCNCCCONCNCCONCCCCCCOCONN/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;s10;s12;s8d13;s12;s15;d16;s16;s18;s19;d20;s21;d22;d19s23;s23;s25;s22s26;s9;s7d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₄N₆O₄
All Atoms:	43
Heavy Atoms:	29
Chiral Atoms:	None

ZAP Information [?]

Total:	9.15353
Area:	587.971
Solvation:	-5.54575
Coulombic:	-63.6199

Bond Count [?]

All:	33
Single:	22
Double:	11
Rotors:	5
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	0.96
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