Chemical ID: 6639762

CC12CCC3C1(CC23C(=O)Nc4cccc(c4)C(F)(F)F)C
Chemical ID:
6639762
Name [?]:
None
SMILES [?]:
CC12CCC3C1(CC23C(=O)Nc4cccc(c4)C(F)(F)F)C
InChi [?]:
InChI=1/C17H18F3NO/c1-14-9-16(12(14)6-7-15(14,16)2)13(22)21-11-5-3-4-10(8-11)17(18,19)20/h3-5,8,12H,6-7,9H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:22,1,14,15,13,4,3,17,7,16,12,5,9,6,2,8,18,19,20,21,11,10/E:(18,19,20)/rA:22cCCCCCCCCCONCCCCCCCFFFC/rB:s1;s2;s3;s4;s2s5;s6;s2s5s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;s18;s18;s18;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18F3NO
All Atoms:22
Heavy Atoms:22
Chiral Atoms:4
ZAP Information [?]
Total:9.45343
Area:470.96
Solvation:-2.32057
Coulombic:-40.6515
Bond Count [?]
All:25
Single:21
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:309.326
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.66
LogP (Chemaxon):4.46

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Descriptor Annotations

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