Chemical ID: 7678511

COC(=O)Cn1cnc2c(c1=O)nnn2c3ccc(cc3)F
Chemical ID:
7678511
Name [?]:
None
SMILES [?]:
COC(=O)Cn1cnc2c(c1=O)nnn2c3ccc(cc3)F
InChi [?]:
InChI=1/C13H10FN5O3/c1-22-10(20)6-18-7-15-12-11(13(18)21)16-17-19(12)9-4-2-8(14)3-5-9/h2-5,7H,6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,18,20,17,21,5,7,19,16,3,10,9,11,22,8,13,14,6,15,4,12,2/E:(2,3)(4,5)/rA:22nCOCOCNCNCCCONNNCCCCCCF/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;s6s10;d11;s10;d13;s9s14;s15;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H10FN5O3
All Atoms:32
Heavy Atoms:22
Chiral Atoms:None
ZAP Information [?]
Total:7.43793
Area:473.602
Solvation:-4.40212
Coulombic:-49.0689
Bond Count [?]
All:24
Single:16
Double:8
Rotors:4
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:0.33
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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