Chemical ID: 7728082

CCOC(=O)C1CCN(CC1)Cc2cc(=O)oc3c2cc(c(c3)O)Cl
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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