Chemical ID: 7439156

COc1ccc(cc1)c2cn3ccc4c(c3[nH+]2)[nH]c(=O)[nH]4
Chemical ID:
7439156
Name [?]:
None
SMILES [?]:
COc1ccc(cc1)c2cn3ccc4c(c3[nH+]2)[nH]c(=O)[nH]4
InChi [?]:
InChI=1/C15H12N4O2/c1-21-10-4-2-9(3-5-10)12-8-19-7-6-11-13(14(19)16-12)18-15(20)17-11/h2-8H,1H3,(H2,17,18,20)/p+1
InChi Info:
AuxInfo=1/1/N:1,5,7,4,8,13,12,10,6,3,14,9,15,16,19,17,21,18,11,20,2/E:(2,3)(4,5)/rA:21nCOCCCCCCCCNCCCCCN+NCON/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;s11;d12;s13;d14;s11s15;s9d16;s15;s18;d19;s14s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13N4O2+
All Atoms:34
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:-23.8412
Area:461.788
Solvation:-35.3859
Coulombic:-39.0864
Bond Count [?]
All:24
Single:16
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:281.289
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.1
LogP (Chemaxon):3.17

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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