Chemical ID: 6471902

c1ccc(cc1)n2c(=N)c3c(c(=O)[nH]c(n3)c4ccco4)[nH]c2=O
Chemical ID:
6471902
Name [?]:
3-(2-furyl)-10-imino-9-phenyl-2,4,7,9-tetrazabicyclo[4.4.0]deca-2,11-diene-5,8-dione
SMILES [?]:
c1ccc(cc1)n2c(=N)c3c(c(=O)[nH]c(n3)c4ccco4)[nH]c2=O
InChi [?]:
InChI=1/C16H11N5O3/c17-13-11-12(15(22)20-14(18-11)10-7-4-8-24-10)19-16(23)21(13)9-5-2-1-3-6-9/h1-8,17H,(H,19,23)(H,18,20,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,19,3,5,18,20,4,17,10,11,8,15,12,23,9,16,22,14,7,13,24,21/E:(2,3)(5,6)/rA:24nCCCCCCNCNCCCONCNCCCCONCO/rB:s1;d2;s3;d4;d1s5;s4;s7;w8;s8;d10;s11;d12;s12;s14;s10d15;s15;d17;s18;d19;s17s20;s11;s7s22;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H11N5O3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.90396
Area:499.853
Solvation:-3.59237
Coulombic:-76.3319
Bond Count [?]
All:27
Single:17
Double:10
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:321.29
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:0.91
LogP (Chemaxon):1.81

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