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Chemical ID: 5290146
Chemical ID:
5290146
Name [?]:
None
SMILES [?]:
COc1ccc(cc1OC)C=Nn2cnc3c4cc(ccc4[nH]c3c2=O)F
InChi [?]:
InChI=1/C19H15FN4O3/c1-26-15-6-3-11(7-16(15)27-2)9-22-24-10-21-17-13-8-12(20)4-5-14(13)23-18(17)19(24)25/h3-10,23H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,5,20,21,4,7,18,11,14,6,19,17,22,3,8,16,24,25,27,15,12,23,13,26,2,9/rA:27nCOCCCCCCOCCNNCNCCCCCCCNCCOF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;w11;s12;s13;d14;s15;s16;s17;d18;s19;d20;d17s21;s22;d16s23;s13s24;d25;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H15FN4O3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.33604 |
Area: | 536.191 |
Solvation: | -7.06875 |
Coulombic: | -49.2869 |
Bond Count [?]
All: | 30 |
Single: | 20 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 366.346 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.37 |
LogP (Chemaxon): | 3.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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