Chemical ID: 7039331

c1cc(cc(c1)OC(=O)C2CCCCC2)C=CC(=O)c3ccc(cc3)Cl
Chemical ID:
7039331
Name [?]:
[3-[3-(4-chlorophenyl)-3-oxo-prop-1-enyl]phenyl] cyclohexanecarboxylate
SMILES [?]:
c1cc(cc(c1)OC(=O)C2CCCCC2)C=CC(=O)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C22H21ClO3/c23-19-12-10-17(11-13-19)21(24)14-9-16-5-4-8-20(15-16)26-22(25)18-6-2-1-3-7-18/h4-5,8-15,18H,1-3,6-7H2
InChi Info:
AuxInfo=1/0/N:13,12,14,1,2,11,15,6,16,21,25,22,24,17,4,3,20,10,23,5,18,8,26,19,9,7/E:(2,3)(6,7)(10,11)(12,13)/rA:26nCCCCCCOCOCCCCCCCCCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s11;s12;s13;s10s14;s3;w16;s17;d18;s18;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H21ClO3
All Atoms:47
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:12.4691
Area:615.433
Solvation:-2.91677
Coulombic:-30.3476
Bond Count [?]
All:28
Single:19
Double:9
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:368.853
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:6.17
LogP (Chemaxon):5.91

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