Chemical ID: 5284800

c1cc(ccc1n2c3c(cn2)c4nc(nn4cn3)c5ccncc5)F
Chemical ID:
5284800
Name [?]:
None
SMILES [?]:
c1cc(ccc1n2c3c(cn2)c4nc(nn4cn3)c5ccncc5)F
InChi [?]:
InChI=1/C17H10FN7/c18-12-1-3-13(4-2-12)25-16-14(9-21-25)17-22-15(23-24(17)10-20-16)11-5-7-19-8-6-11/h1-10H
InChi Info:
AuxInfo=1/0/N:2,4,1,5,20,24,21,23,10,17,19,3,6,9,14,8,12,25,22,18,11,13,15,16,7/E:(1,2)(3,4)(5,6)(7,8)/rA:25nCCCCCCNCCCNCNCNNCNCCCNCCF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;s7d10;s9;d12;s13;d14;s12s15;s16;s8d17;s14;s19;d20;s21;d22;d19s23;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H10FN7
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.16518
Area:508.18
Solvation:-3.53932
Coulombic:-30.3802
Bond Count [?]
All:29
Single:18
Double:11
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:331.307
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.37
LogP (Chemaxon):2.76

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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