ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7640137

Chemical ID:

7640137

Name [?]:

None

SMILES [?]:

c1cc2cccc-3c2c(c1)-c4c3n[nH]c(=O)n4

InChi [?]:

InChI=1/C13H7N3O/c17-13-14-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)15-16-13/h1-6H,(H,14,16,17)

InChi Info:

AuxInfo=1/1/N:1,5,2,4,10,6,3,9,7,8,11,12,15,17,13,14,16/rA:17nCCCCCCCCCCCCNNCON/rB:s1;d2;s3;d4;s5;d6;s3s7;d8;d1s9;s9;s7s11;d12;s13;s14;d15;d11s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₃H₇N₃O
All Atoms:	24
Heavy Atoms:	17
Chiral Atoms:	None

ZAP Information [?]

Total:	7.73388
Area:	369.873
Solvation:	-1.51294
Coulombic:	-30.2404

Bond Count [?]

All:	20
Single:	12
Double:	8
Rotors:	0
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.56
LogP (Chemaxon):	None

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