Chemical ID: 5482301

c1ccc2c(c1)c(ccc2Cl)OC(=O)Cc3coc4c3cc5c(c4)CCC5
Chemical ID:
5482301
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c(ccc2Cl)OC(=O)Cc3coc4c3cc5c(c4)CCC5
InChi [?]:
InChI=1/C23H17ClO3/c24-20-8-9-21(18-7-2-1-6-17(18)20)27-23(25)12-16-13-26-22-11-15-5-3-4-14(15)10-19(16)22/h1-2,6-11,13H,3-5,12H2
InChi Info:
AuxInfo=1/0/N:2,1,26,27,25,3,6,9,8,21,24,15,17,22,23,16,4,5,20,10,7,19,13,11,14,18,12/rA:27nCCCCCCCCCCClOCOCCCOCCCCCCCCC/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s7;s12;d13;s13;s15;d16;s17;s18;s16s19;d20;s21;d22;d19s23;s23;s25;s22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H17ClO3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.4903
Area:574.498
Solvation:-2.87211
Coulombic:-27.7117
Bond Count [?]
All:31
Single:21
Double:10
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:376.832
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:6.08
LogP (Chemaxon):6.32

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Descriptor Annotations

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