Chemical ID: 5267189

c1ccc2c(c1)-c3c(c4cc(ccc4[nH]3)C#N)CC(=O)N2
Chemical ID:
5267189
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)-c3c(c4cc(ccc4[nH]3)C#N)CC(=O)N2
InChi [?]:
InChI=1/C17H11N3O/c18-9-10-5-6-15-12(7-10)13-8-16(21)19-14-4-2-1-3-11(14)17(13)20-15/h1-7,20H,8H2,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,12,13,10,18,16,11,5,9,8,4,14,19,7,17,21,15,20/rA:21nCCCCCCCCCCCCCCNCNCCON/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;s9;d10;s11;d12;d9s13;s7s14;s11;t16;s8;s18;d19;s4s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H11N3O
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.69071
Area:452.377
Solvation:-2.61872
Coulombic:-34.8945
Bond Count [?]
All:24
Single:15
Double:8
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:273.289
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.53
LogP (Chemaxon):2.84

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