ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7667653

Chemical ID:

7667653

Name [?]:

None

SMILES [?]:

Cc1ccn(n1)c2c(nc3ccccc3c2C(=O)O)C

InChi [?]:

InChI=1/C15H13N3O2/c1-9-7-8-18(17-9)14-10(2)16-12-6-4-3-5-11(12)13(14)15(19)20/h3-8H,1-2H3,(H,19,20)

InChi Info:

AuxInfo=1/1/N:1,20,13,12,14,11,3,4,2,8,15,10,16,7,17,9,6,5,18,19/E:(19,20)/rA:20nCCCCNNCCNCCCCCCCCOOC/rB:s1;s2;d3;s4;d2s5;s5;s7;d8;s9;s10;d11;s12;d13;d10s14;d7s15;s16;d17;s17;s8;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₃N₃O₂
All Atoms:	33
Heavy Atoms:	20
Chiral Atoms:	None

ZAP Information [?]

Total:	7.86411
Area:	433.425
Solvation:	-2.97151
Coulombic:	-36.2052

Bond Count [?]

All:	22
Single:	14
Double:	8
Rotors:	2
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.34
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

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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