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Chemical ID: 7721226
Chemical ID:
7721226
Name [?]:
None
SMILES [?]:
Cc1c(nnn1c2ccc(cc2)Cl)C(=O)Nc3ccc(cc3F)F
InChi [?]:
InChI=1/C16H11ClF2N4O/c1-9-15(16(24)20-14-7-4-11(18)8-13(14)19)21-22-23(9)12-5-2-10(17)3-6-12/h2-8H,1H3,(H,20,24)
InChi Info:
AuxInfo=1/1/N:1,9,11,19,8,12,18,21,2,10,20,7,22,17,3,14,13,24,23,16,4,5,6,15/E:(2,3)(5,6)/rA:24nCCCNNNCCCCCCClCONCCCCCCFF/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s9;d10;d7s11;s10;s3;d14;s14;s16;s17;d18;s19;d20;d17s21;s22;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H11ClF2N4O |
All Atoms: | 35 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.58379 |
Area: | 519.502 |
Solvation: | -3.40376 |
Coulombic: | -34.4298 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.63 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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