Chemical ID: 7679409

COc1ccc(cc1)n2c3c(c(=O)n(cn3)Cc4c(cccc4Cl)F)nn2
Chemical ID:
7679409
Name [?]:
None
SMILES [?]:
COc1ccc(cc1)n2c3c(c(=O)n(cn3)Cc4c(cccc4Cl)F)nn2
InChi [?]:
InChI=1/C18H13ClFN5O2/c1-27-12-7-5-11(6-8-12)25-17-16(22-23-25)18(26)24(10-21-17)9-13-14(19)3-2-4-15(13)20/h2-8,10H,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,21,22,20,5,7,4,8,17,15,6,3,18,23,19,11,10,12,24,25,16,26,27,14,9,13,2/E:(5,6)(7,8)/rA:27nCOCCCCCCNCCCONCNCCCCCCCClFNN/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d12;s12;s14;s10d15;s14;s17;s18;d19;s20;d21;d18s22;s23;s19;s11;s9d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H13ClFN5O2
All Atoms:40
Heavy Atoms:27
Chiral Atoms:None
ZAP Information [?]
Total:9.02844
Area:549.162
Solvation:-4.70061
Coulombic:-39.158
Bond Count [?]
All:30
Single:20
Double:10
Rotors:4
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.88
LogP (Chemaxon):None

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Descriptor Annotations

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