Chemical ID: 4622328

CN1c2ccccc2C3(C1=O)N=c4ccccc4=N3
Chemical ID:
4622328
Name [?]:
None
SMILES [?]:
CN1c2ccccc2C3(C1=O)N=c4ccccc4=N3
InChi [?]:
InChI=1/C15H11N3O/c1-18-13-9-5-2-6-10(13)15(14(18)19)16-11-7-3-4-8-12(11)17-15/h2-9H,1H3
InChi Info:
AuxInfo=1/0/N:1,6,15,16,5,7,14,17,4,8,13,18,3,10,9,12,19,2,11/E:(3,4)(7,8)(11,12)(16,17)/rA:19nCNCCCCCCCCONCCCCCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s2s9;d10;s9;d12;s13;d14;s15;d16;s13s17;s9d18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H11N3O
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.38297
Area:415.721
Solvation:-2.01005
Coulombic:-33.6358
Bond Count [?]
All:22
Single:14
Double:8
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:249.267
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.34
LogP (Chemaxon):2.86

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Descriptor Annotations

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