Chemical ID: 6488019

Cc1c(c2nnc3c(=O)[nH]oc3n2n1)c4ccccc4
Chemical ID:
6488019
Name [?]:
None
SMILES [?]:
Cc1c(c2nnc3c(=O)[nH]oc3n2n1)c4ccccc4
InChi [?]:
InChI=1/C13H9N5O2/c1-7-9(8-5-3-2-4-6-8)11-15-14-10-12(19)17-20-13(10)18(11)16-7/h2-6H,1H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,18,17,19,16,20,2,15,3,7,4,8,12,6,5,14,10,13,9,11/E:(3,4)(5,6)/rA:20nCCCCNNCCONOCNNCCCCCC/rB:s1;s2;d3;s4;d5;s6;s7;d8;s8;s10;d7s11;s4s12;d2s13;s3;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H9N5O2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.29531
Area:433.566
Solvation:-2.54383
Coulombic:-33.1878
Bond Count [?]
All:23
Single:15
Double:8
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:267.243
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.0
LogP (Chemaxon):1.13

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Experimental Annotations

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Descriptor Annotations

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