Chemical ID: 5345747

Cc1c2c(n(n1)c3ccc(cc3)F)Oc4ccccc4N=C2
Chemical ID:
5345747
Name [?]:
None
SMILES [?]:
Cc1c2c(n(n1)c3ccc(cc3)F)Oc4ccccc4N=C2
InChi [?]:
InChI=1/C17H12FN3O/c1-11-14-10-19-15-4-2-3-5-16(15)22-17(14)21(20-11)13-8-6-12(18)7-9-13/h2-10H,1H3
InChi Info:
AuxInfo=1/0/N:1,18,17,19,16,9,11,8,12,22,2,10,7,3,20,15,4,13,21,6,5,14/E:(6,7)(8,9)/rA:22nCCCCNNCCCCCCFOCCCCCCNC/rB:s1;s2;d3;s4;d2s5;s5;s7;d8;s9;d10;d7s11;s10;s4;s14;s15;d16;s17;d18;d15s19;s20;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H12FN3O
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.33454
Area:454.026
Solvation:-3.0161
Coulombic:-23.6318
Bond Count [?]
All:25
Single:16
Double:9
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:293.295
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.69
LogP (Chemaxon):3.84

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