Chemical ID: 5408581

c1ccc(c(c1)OCCOc2ccc(cc2)c3ccc(cc3)C#N)F
Chemical ID:
5408581
Name [?]:
4-[4-[2-(2-fluorophenoxy)ethoxy]phenyl]benzonitrile
SMILES [?]:
c1ccc(c(c1)OCCOc2ccc(cc2)c3ccc(cc3)C#N)F
InChi [?]:
InChI=1/C21H16FNO2/c22-20-3-1-2-4-21(20)25-14-13-24-19-11-9-18(10-12-19)17-7-5-16(15-23)6-8-17/h1-12H,13-14H2
InChi Info:
AuxInfo=1/0/N:2,1,3,6,19,21,18,22,13,15,12,16,9,8,23,20,17,14,11,4,5,25,24,10,7/E:(5,6)(7,8)(9,10)(11,12)/rA:25nCCCCCCOCCOCCCCCCCCCCCCCNF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s14;s17;d18;s19;d20;d17s21;s20;t23;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H16FNO2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:8.23186
Area:566.802
Solvation:-5.93819
Coulombic:-24.4504
Bond Count [?]
All:27
Single:17
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:333.356
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.22
LogP (Chemaxon):5.05

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Descriptor Annotations

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