Chemical ID: 7221590

c1ccc2c(c1)c3nc(nn3cn2)c4ccc(cc4)OC(F)F
Chemical ID:
7221590
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3nc(nn3cn2)c4ccc(cc4)OC(F)F
InChi [?]:
InChI=1/C16H10F2N4O/c17-16(18)23-11-7-5-10(6-8-11)14-20-15-12-3-1-2-4-13(12)19-9-22(15)21-14/h1-9,16H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,15,19,16,18,12,14,17,5,4,9,7,21,22,23,13,8,10,11,20/E:(5,6)(7,8)(17,18)/rA:23nCCCCCCCNCNNCNCCCCCCOCFF/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s7s10;s11;s4d12;s9;s14;d15;s16;d17;d14s18;s17;s20;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H10F2N4O
All Atoms:33
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.58958
Area:472.765
Solvation:-3.22955
Coulombic:-38.8686
Bond Count [?]
All:26
Single:17
Double:9
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:312.274
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.86
LogP (Chemaxon):4.15

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Descriptor Annotations

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