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Chemical ID: 5482301
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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