Chemical ID: 4560869

CN1CCc2cc3c(c(c2C1c4ccc(cc4O)O)OC)OCO3
Chemical ID:
4560869
Name [?]:
None
SMILES [?]:
CN1CCc2cc3c(c(c2C1c4ccc(cc4O)O)OC)OCO3
InChi [?]:
InChI=1/C18H19NO5/c1-19-6-5-10-7-14-17(24-9-23-14)18(22-2)15(10)16(19)12-4-3-11(20)8-13(12)21/h3-4,7-8,16,20-21H,5-6,9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,14,13,4,3,6,16,23,5,15,12,17,7,10,11,8,9,2,19,18,20,24,22/rA:24cCNCCCCCCCCCCCCCCCOOOCOCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s2s10;s11;s12;d13;s14;d15;d12s16;s17;s15;s9;s20;s8;s22;s7s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19NO5
All Atoms:24
Heavy Atoms:24
Chiral Atoms:2
ZAP Information [?]
Total:6.10159
Area:469.421
Solvation:-5.63393
Coulombic:-60.9116
Bond Count [?]
All:27
Single:21
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:329.347
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.05
LogP (Chemaxon):2.63

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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