Chemical ID: 5278117

c1ccc(c(c1)c2nc3c4cnn(c4ncn3n2)c5ccc(cc5)F)O
Chemical ID:
5278117
Name [?]:
None
SMILES [?]:
c1ccc(c(c1)c2nc3c4cnn(c4ncn3n2)c5ccc(cc5)F)O
InChi [?]:
InChI=1/C18H11FN6O/c19-11-5-7-12(8-6-11)25-17-14(9-21-25)18-22-16(23-24(18)10-20-17)13-3-1-2-4-15(13)26/h1-10,26H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,21,23,20,24,11,16,22,19,5,10,4,7,14,9,25,15,12,8,18,17,13,26/E:(5,6)(7,8)/rA:26nCCCCCCCNCCCNNCNCNNCCCCCCFO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;s10;d11;s12;d10s13;s14;d15;s9s16;d7s17;s13;s19;d20;s21;d22;d19s23;s22;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H11FN6O
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.1459
Area:523.466
Solvation:-3.94075
Coulombic:-42.835
Bond Count [?]
All:30
Single:19
Double:11
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:346.318
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:3.21
LogP (Chemaxon):3.79

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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