Chemical ID: 5465982

c1ccc2c(c1)ccc3c2c(cc(=O)o3)COC(=O)CC4CC5CCC4C5
Chemical ID:
5465982
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)ccc3c2c(cc(=O)o3)COC(=O)CC4CC5CCC4C5
InChi [?]:
InChI=1/C23H22O4/c24-21(11-17-10-14-5-6-16(17)9-14)26-13-18-12-22(25)27-20-8-7-15-3-1-2-4-19(15)23(18)20/h1-4,7-8,12,14,16-17H,5-6,9-11,13H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,24,25,7,8,27,22,20,12,16,23,5,26,21,11,4,9,18,13,10,19,14,17,15/rA:27cCCCCCCCCCCCCCOOCOCOCCCCCCCC/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s12;d13;s9s13;s11;s16;s17;d18;s18;s20;s21;s22;s23;s24;s21s25;s23s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H22O4
All Atoms:27
Heavy Atoms:27
Chiral Atoms:3
ZAP Information [?]
Total:11.1888
Area:562.902
Solvation:-2.88374
Coulombic:-39.1745
Bond Count [?]
All:31
Single:23
Double:8
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:362.418
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.69
LogP (Chemaxon):4.51

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Descriptor Annotations

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