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Chemical ID: 4556548
Chemical ID:
4556548
Name [?]:
None
SMILES [?]:
Cc1c(c(=O)c2ccc3c(c2o1)OCCCO3)c4ccc(cc4)Cl
InChi [?]:
InChI=1/C19H15ClO4/c1-11-16(12-3-5-13(20)6-4-12)17(21)14-7-8-15-19(18(14)24-11)23-10-2-9-22-15/h3-8H,2,9-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,19,23,20,22,7,8,16,14,2,18,21,6,9,3,4,11,10,24,5,17,13,12/E:(3,4)(5,6)/rA:24nCCCCOCCCCCCOOCCCOCCCCCCCl/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;d6s10;s2s11;s10;s13;s14;s15;s9s16;s3;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H15ClO4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.95657 |
Area: | 512.893 |
Solvation: | -4.86574 |
Coulombic: | -32.022 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 342.773 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.37 |
LogP (Chemaxon): | 3.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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