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Chemical ID: 7678499
Chemical ID:
7678499
Name [?]:
None
SMILES [?]:
c1cc(ccc1n2c3c(c(=O)n(cn3)Cc4ccc(c(c4)Cl)Cl)nn2)F
InChi [?]:
InChI=1/C17H10Cl2FN5O/c18-13-6-1-10(7-14(13)19)8-24-9-21-16-15(17(24)26)22-23-25(16)12-4-2-11(20)3-5-12/h1-7,9H,8H2
InChi Info:
AuxInfo=1/0/N:17,2,4,1,5,18,21,15,13,16,3,6,19,20,9,8,10,23,22,26,14,24,25,12,7,11/E:(2,3)(4,5)/rA:26nCCCCCCNCCCONCNCCCCCCCClClNNF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;d10;s10;s12;s8d13;s12;s15;s16;d17;s18;d19;d16s20;s20;s19;s9;s7d24;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H10Cl2FN5O |
All Atoms: | 36 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.7081 |
Area: | 559.228 |
Solvation: | -3.2726 |
Coulombic: | -33.4393 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.58 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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