Chemical ID: 5756654

c1ccc(cc1)C(C#N)C(CC(=O)c2ccccc2)c3ccc(cc3)Cl
Chemical ID:
5756654
Name [?]:
3-(4-chlorophenyl)-5-oxo-2,5-diphenyl-pentanenitrile
SMILES [?]:
c1ccc(cc1)C(C#N)C(CC(=O)c2ccccc2)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C23H18ClNO/c24-20-13-11-18(12-14-20)21(15-23(26)19-9-5-2-6-10-19)22(16-25)17-7-3-1-4-8-17/h1-14,21-22H,15H2
InChi Info:
AuxInfo=1/0/N:1,17,2,6,16,18,3,5,15,19,21,25,22,24,11,8,4,20,14,23,10,7,12,26,9,13/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:26cCCCCCCCCNCCCOCCCCCCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;t8;s7;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s10;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H18ClNO
All Atoms:26
Heavy Atoms:26
Chiral Atoms:2
ZAP Information [?]
Total:11.4624
Area:586.711
Solvation:-3.20541
Coulombic:-15.0147
Bond Count [?]
All:28
Single:17
Double:10
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:359.848
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.19
LogP (Chemaxon):5.73

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