Chemical ID: 4774555

Cn1c2c(cc3ccc(cc3n2)C#C)c(=O)n(c1=O)C
Chemical ID:
4774555
Name [?]:
None
SMILES [?]:
Cn1c2c(cc3ccc(cc3n2)C#C)c(=O)n(c1=O)C
InChi [?]:
InChI=1/C15H11N3O2/c1-4-9-5-6-10-8-11-13(16-12(10)7-9)17(2)15(20)18(3)14(11)19/h1,5-8H,2-3H3
InChi Info:
AuxInfo=1/0/N:14,1,20,13,8,7,10,5,9,6,4,11,3,15,18,12,2,17,16,19/rA:20nCNCCCCCCCCCNCCCONCOC/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;d6s10;d3s11;s9;t13;s4;d15;s15;s2s17;d18;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H11N3O2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.91966
Area:442.7
Solvation:-2.14784
Coulombic:-43.0439
Bond Count [?]
All:22
Single:14
Double:7
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:265.267
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.09
LogP (Chemaxon):2.46

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Descriptor Annotations

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