Chemical ID: 7221672

c1ccc2c(c1)c3nc(nn3cn2)COc4ccc(cc4)F
Chemical ID:
7221672
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3nc(nn3cn2)COc4ccc(cc4)F
InChi [?]:
InChI=1/C16H11FN4O/c17-11-5-7-12(8-6-11)22-9-15-19-16-13-3-1-2-4-14(13)18-10-21(16)20-15/h1-8,10H,9H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,18,20,17,21,14,12,19,16,5,4,9,7,22,13,8,10,11,15/E:(5,6)(7,8)/rA:22nCCCCCCCNCNNCNCOCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s7s10;s11;s4d12;s9;s14;s15;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H11FN4O
All Atoms:33
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.03364
Area:475.101
Solvation:-3.84389
Coulombic:-29.3766
Bond Count [?]
All:25
Single:16
Double:9
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:294.283
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.07
LogP (Chemaxon):4.08

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