Chemical ID: 4777322

c1cc(c(cc1N2C(=O)C3C4CC(C3C2=O)C=C4)Cl)F
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

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Descriptor Annotations

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