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Chemical ID: 4777322
Chemical ID:
4777322
Name [?]:
None
SMILES [?]:
c1cc(c(cc1N2C(=O)C3C4CC(C3C2=O)C=C4)Cl)F
InChi [?]:
InChI=1/C15H11ClFNO2/c16-10-6-9(3-4-11(10)17)18-14(19)12-7-1-2-8(5-7)13(12)15(18)20/h1-4,6-8,12-13H,5H2
InChi Info:
AuxInfo=1/0/N:17,18,1,2,12,5,13,11,6,4,3,14,10,15,8,19,20,7,16,9/E:(1,2)(7,8)(12,13)(14,15)(19,20)/rA:20cCCCCCCNCOCCCCCCOCCClF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s11;s12;s10s13;s7s14;d15;s13;s11d17;s4;s3;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H11ClFNO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 7.57753 |
Area: | 434.822 |
Solvation: | -3.29303 |
Coulombic: | -28.2506 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 291.704 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.49 |
LogP (Chemaxon): | 2.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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