Chemical ID: 4723052

c1cc(ccc1C(C#N)c2ccc(cc2)F)C(=O)c3ccc(cc3)F
Chemical ID:
4723052
Name [?]:
2-[4-(4-fluorobenzoyl)phenyl]-2-(4-fluorophenyl)-acetonitrile
SMILES [?]:
c1cc(ccc1C(C#N)c2ccc(cc2)F)C(=O)c3ccc(cc3)F
InChi [?]:
InChI=1/C21H13F2NO/c22-18-9-5-15(6-10-18)20(13-24)14-1-3-16(4-2-14)21(25)17-7-11-19(23)12-8-17/h1-12,20H
InChi Info:
AuxInfo=1/0/N:1,5,2,4,11,15,20,24,12,14,21,23,8,6,10,3,19,13,22,7,17,16,25,9,18/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:25cCCCCCCCCNCCCCCCFCOCCCCCCF/rB:s1;d2;s3;d4;d1s5;s6;s7;t8;s7;s10;d11;s12;d13;d10s14;s13;s3;d17;s17;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H13F2NO
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:8.70598
Area:530.065
Solvation:-4.54565
Coulombic:-21.8778
Bond Count [?]
All:27
Single:16
Double:10
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:333.331
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.1
LogP (Chemaxon):5.29

Name Annotations

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Descriptor Annotations

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