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Chemical ID: 7678247
Chemical ID:
7678247
Name [?]:
None
SMILES [?]:
Cc1ccccc1NC(=O)Cn2cnc3c(c2=O)nnn3c4ccc(cc4)F
InChi [?]:
InChI=1/C19H15FN6O2/c1-12-4-2-3-5-15(12)22-16(27)10-25-11-21-18-17(19(25)28)23-24-26(18)14-8-6-13(20)7-9-14/h2-9,11H,10H2,1H3,(H,22,27)
InChi Info:
AuxInfo=1/1/N:1,4,5,3,6,24,26,23,27,11,13,2,25,22,7,9,16,15,17,28,14,8,19,20,12,21,10,18/E:(6,7)(8,9)/rA:28nCCCCCCCNCOCNCNCCCONNNCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;d13;s14;d15;s12s16;d17;s16;d19;s15s20;s21;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H15FN6O2 |
All Atoms: | 43 |
Heavy Atoms: | 28 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.60405 |
Area: | 572.315 |
Solvation: | -4.70381 |
Coulombic: | -51.6311 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.59 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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