Chemical ID: 4705817

CC1=Nc2ccccc2Oc3c1ncc(c3)C(F)(F)F
Chemical ID:
4705817
Name [?]:
None
SMILES [?]:
CC1=Nc2ccccc2Oc3c1ncc(c3)C(F)(F)F
InChi [?]:
InChI=1/C14H9F3N2O/c1-8-13-12(6-9(7-18-13)14(15,16)17)20-11-5-3-2-4-10(11)19-8/h2-7H,1H3
InChi Info:
AuxInfo=1/0/N:1,6,7,5,8,16,14,2,15,4,9,11,12,17,18,19,20,13,3,10/E:(15,16,17)/rA:20nCCNCCCCCCOCCNCCCCFFF/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s9;s10;s2s11;d12;s13;d14;d11s15;s15;s17;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H9F3N2O
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.66497
Area:411.099
Solvation:-2.61251
Coulombic:-37.2468
Bond Count [?]
All:22
Single:15
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:278.229
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.74
LogP (Chemaxon):3.23

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Descriptor Annotations

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