Chemical ID: 4334100

c1ccc2c(c1)ccc3c2NC(=O)CC3c4cccc(c4)C(F)(F)F
Chemical ID:
4334100
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)ccc3c2NC(=O)CC3c4cccc(c4)C(F)(F)F
InChi [?]:
InChI=1/C20H14F3NO/c21-20(22,23)14-6-3-5-13(10-14)17-11-18(25)24-19-15-7-2-1-4-12(15)8-9-16(17)19/h1-10,17H,11H2,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,18,6,17,19,3,7,8,21,14,5,16,20,4,9,15,12,10,22,23,24,25,11,13/E:(21,22,23)/rA:25cCCCCCCCCCCNCOCCCCCCCCCFFF/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s11;d12;s12;s9s14;s15;s16;d17;s18;d19;d16s20;s20;s22;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H14F3NO
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:9.45761
Area:494.055
Solvation:-2.89376
Coulombic:-41.3192
Bond Count [?]
All:28
Single:19
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:341.327
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.63
LogP (Chemaxon):5.0

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Descriptor Annotations

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