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Chemical ID: 7728082
Chemical ID:
7728082
Name [?]:
None
SMILES [?]:
CCOC(=O)C1CCN(CC1)Cc2cc(=O)oc3c2cc(c(c3)O)Cl
InChi [?]:
InChI=1/C18H20ClNO5/c1-2-24-18(23)11-3-5-20(6-4-11)10-12-7-17(22)25-16-9-15(21)14(19)8-13(12)16/h7-9,11,21H,2-6,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,7,11,8,10,14,20,23,12,6,13,19,21,22,18,15,4,25,9,24,16,5,3,17/E:(3,4)(5,6)/rA:25nCCOCOCCCNCCCCCCOOCCCCCCOCl/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s9;s12;d13;s14;d15;s15;s17;s13s18;d19;s20;d21;d18s22;s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20ClNO5 |
All Atoms: | 45 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.55082 |
Area: | 569.227 |
Solvation: | -4.67986 |
Coulombic: | -56.9003 |
Bond Count [?]
All: | 27 |
Single: | 21 |
Double: | 6 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.32 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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