Chemical ID: 5458429

CC12C=CC(O1)(C3C2C(=O)N(C3=O)c4cc(ccc4Cl)C(F)(F)F)C
Chemical ID:
5458429
Name [?]:
None
SMILES [?]:
CC12C=CC(O1)(C3C2C(=O)N(C3=O)c4cc(ccc4Cl)C(F)(F)F)C
InChi [?]:
InChI=1/C17H13ClF3NO3/c1-15-5-6-16(2,25-15)12-11(15)13(23)22(14(12)24)10-7-8(17(19,20)21)3-4-9(10)18/h3-7,11-12H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,17,18,3,4,15,16,19,14,8,7,9,12,2,5,21,20,22,23,24,11,10,13,6/E:(1,2)(5,6)(11,12)(13,14)(15,16)(19,20,21)(23,24)/rA:25cCCCCCOCCCONCOCCCCCCClCFFFC/rB:s1;s2;d3;s4;s2s5;s5;s2s7;s8;d9;s9;s7s11;d12;s11;s14;d15;s16;d17;d14s18;s19;s16;s21;s21;s21;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13ClF3NO3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:4
ZAP Information [?]
Total:8.23677
Area:499.297
Solvation:-4.24566
Coulombic:-50.182
Bond Count [?]
All:28
Single:22
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:371.738
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.44
LogP (Chemaxon):2.57

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