Chemical ID: 7721226

Cc1c(nnn1c2ccc(cc2)Cl)C(=O)Nc3ccc(cc3F)F
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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