Chemical ID: 6424222

c1ccc2c(c1)c3ccnc4c3n2c(=O)cc4
Chemical ID:
6424222
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3ccnc4c3n2c(=O)cc4
InChi [?]:
InChI=1/C14H8N2O/c17-13-6-5-11-14-10(7-8-15-11)9-3-1-2-4-12(9)16(13)14/h1-8H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,17,16,8,9,5,7,11,4,14,12,10,13,15/rA:17nCCCCCCCCCNCCNCOCC/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;d7s11;s4s12;s13;d14;s14;s11d16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H8N2O
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.10366
Area:366.584
Solvation:-2.06094
Coulombic:-21.8297
Bond Count [?]
All:20
Single:12
Double:8
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:220.226
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.71
LogP (Chemaxon):2.51

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Experimental Annotations

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Descriptor Annotations

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