Chemical ID: 5261718

c1ccc2c(c1)c3cc[n+]-4c(c3[nH]2)C(=O)c5c4cccc5
Chemical ID:
5261718
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3cc[n+]-4c(c3[nH]2)C(=O)c5c4cccc5
InChi [?]:
InChI=1/C18H10N2O/c21-18-13-6-2-4-8-15(13)20-10-9-12-11-5-1-3-7-14(11)19-16(12)17(18)20/h1-10H/p+1
InChi Info:
AuxInfo=1/5/N:1,20,2,19,6,21,3,18,8,9,5,7,16,4,17,12,11,14,13,10,15/rA:21nCCCCCCCCCN+CCNCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;d7s11;s4s12;s11;d14;s14;s10s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H11N2O+
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:-17.0065
Area:438.495
Solvation:-27.9688
Coulombic:-0.827696
Bond Count [?]
All:25
Single:15
Double:10
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:271.293
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.43
LogP (Chemaxon):0.54

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Descriptor Annotations

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