Chemical ID: 5873246

c1ccc2c(c1)c3c([nH]2)C(NCC3)c4ccc(cc4)C(F)(F)F
Chemical ID:
5873246
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3c([nH]2)C(NCC3)c4ccc(cc4)C(F)(F)F
InChi [?]:
InChI=1/C18H15F3N2/c19-18(20,21)12-7-5-11(6-8-12)16-17-14(9-10-22-16)13-3-1-2-4-15(13)23-17/h1-8,16,22-23H,9-10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,15,19,16,18,13,12,14,17,5,7,4,10,8,20,21,22,23,11,9/E:(5,6)(7,8)(19,20,21)/rA:23cCCCCCCCCNCNCCCCCCCCCFFF/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;s11;s7s12;s10;s14;d15;s16;d17;d14s18;s17;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15F3N2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:9.51123
Area:470.887
Solvation:-2.26093
Coulombic:-40.8748
Bond Count [?]
All:26
Single:19
Double:7
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:316.32
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:3.96
LogP (Chemaxon):4.45

Name Annotations

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Descriptor Annotations

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