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Chemical ID: 4567235
Chemical ID:
4567235
Name [?]:
None
SMILES [?]:
CCc1c(c2cc3c(cc2oc1=O)occ3c4ccc(cc4)Cl)C
InChi [?]:
InChI=1/C20H15ClO3/c1-3-14-11(2)15-8-16-17(12-4-6-13(21)7-5-12)10-23-18(16)9-19(15)24-20(14)22/h4-10H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,2,18,22,19,21,6,9,15,4,17,20,3,5,7,16,8,10,12,23,13,14,11/E:(4,5)(6,7)/rA:24nCCCCCCCCCCOCOOCCCCCCCCClC/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;s10;s3s11;d12;s8;s14;s7d15;s16;s17;d18;s19;d20;d17s21;s20;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H15ClO3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2391 |
Area: | 526.37 |
Solvation: | -2.92018 |
Coulombic: | -27.9817 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 338.784 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 5.26 |
LogP (Chemaxon): | 6.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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