Chemical ID: 5222548

CCCCCCC(=O)C=Cc1ccccc1OC(=O)c2ccc(cc2)Cl
Chemical ID:
5222548
Name [?]:
[2-(3-oxonon-1-enyl)phenyl] 4-chlorobenzoate
SMILES [?]:
CCCCCCC(=O)C=Cc1ccccc1OC(=O)c2ccc(cc2)Cl
InChi [?]:
InChI=1/C22H23ClO3/c1-2-3-4-5-9-20(24)16-13-17-8-6-7-10-21(17)26-22(25)18-11-14-19(23)15-12-18/h6-8,10-16H,2-5,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,5,13,14,12,6,15,21,25,10,22,24,9,11,20,23,7,16,18,26,8,19,17/E:(11,12)(14,15)/rA:26nCCCCCCCOCCCCCCCCOCOCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;d7;s7;w9;s10;s11;d12;s13;d14;d11s15;s16;s17;d18;s18;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H23ClO3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:12.9598
Area:625.576
Solvation:-2.67958
Coulombic:-31.365
Bond Count [?]
All:27
Single:18
Double:9
Rotors:10
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:370.869
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:6.79
LogP (Chemaxon):6.66

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Descriptor Annotations

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