Chemical ID: 7679062

COc1cccc(c1)n2c3c(c(=O)n(cn3)Cc4ccc(cc4)F)nn2
Chemical ID:
7679062
Name [?]:
None
SMILES [?]:
COc1cccc(c1)n2c3c(c(=O)n(cn3)Cc4ccc(cc4)F)nn2
InChi [?]:
InChI=1/C18H14FN5O2/c1-26-15-4-2-3-14(9-15)24-17-16(21-22-24)18(25)23(11-20-17)10-12-5-7-13(19)8-6-12/h2-9,11H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,6,4,19,23,20,22,8,17,15,18,21,7,3,11,10,12,24,16,25,26,14,9,13,2/E:(5,6)(7,8)/rA:26nCOCCCCCCNCCCONCNCCCCCCCFNN/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s11;d12;s12;s14;s10d15;s14;s17;s18;d19;s20;d21;d18s22;s21;s11;s9d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14FN5O2
All Atoms:40
Heavy Atoms:26
Chiral Atoms:None
ZAP Information [?]
Total:8.79621
Area:535.998
Solvation:-4.60373
Coulombic:-39.6705
Bond Count [?]
All:29
Single:19
Double:10
Rotors:4
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.25
LogP (Chemaxon):None

Name Annotations

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Descriptor Annotations

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