Chemical ID: 7221481

c1ccc2c(c1)c3nc(nn3cn2)c4cccc(c4)OC(C(F)F)(F)F
Chemical ID:
7221481
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3nc(nn3cn2)c4cccc(c4)OC(C(F)F)(F)F
InChi [?]:
InChI=1/C17H10F4N4O/c18-16(19)17(20,21)26-11-5-3-4-10(8-11)14-23-15-12-6-1-2-7-13(12)22-9-25(15)24-14/h1-9,16H
InChi Info:
AuxInfo=1/0/N:1,2,16,15,17,6,3,19,12,14,18,5,4,9,7,22,21,23,24,25,26,13,8,10,11,20/E:(18,19)(20,21)/rA:26nCCCCCCCNCNNCNCCCCCCOCCFFFF/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s7s10;s11;s4d12;s9;s14;d15;s16;d17;d14s18;s18;s20;s21;s22;s22;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H10F4N4O
All Atoms:36
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:8.94382
Area:512.262
Solvation:-3.86273
Coulombic:-51.6988
Bond Count [?]
All:29
Single:20
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:362.281
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.76
LogP (Chemaxon):4.51

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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