Chemical ID: 5147745

CN1c2ccccc2N=C3C1=Nc4ccccc4N3C
Chemical ID:
5147745
Name [?]:
None
SMILES [?]:
CN1c2ccccc2N=C3C1=Nc4ccccc4N3C
InChi [?]:
InChI=1/C16H14N4/c1-19-13-9-5-3-7-11(13)18-16-15(19)17-12-8-4-6-10-14(12)20(16)2/h3-10H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,6,15,5,16,7,14,4,17,8,13,3,18,11,10,12,9,2,19/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)/rA:20nCNCCCCCCNCCNCCCCCCNC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s2s10;d11;s12;s13;d14;s15;d16;d13s17;s10s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14N4
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.78359
Area:426.049
Solvation:-1.86764
Coulombic:-27.5281
Bond Count [?]
All:23
Single:15
Double:8
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:262.309
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.19
LogP (Chemaxon):5.18

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