Chemical ID: 6918742

COc1cc-2c(cc1O)CC3c4c2c5c(cc4CCN3)OCO5
Chemical ID:
6918742
Name [?]:
None
SMILES [?]:
COc1cc-2c(cc1O)CC3c4c2c5c(cc4CCN3)OCO5
InChi [?]:
InChI=1/C18H17NO4/c1-21-14-7-11-10(5-13(14)20)4-12-16-9(2-3-19-12)6-15-18(17(11)16)23-8-22-15/h5-7,12,19-20H,2-4,8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,18,19,10,7,16,4,22,17,6,5,11,8,3,15,12,13,14,20,9,2,21,23/rA:23cCOCCCCCCOCCCCCCCCCCNOCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s6;s10;s11;s5s12;d13;s14;d15;d12s16;s17;s18;s11s19;s15;s21;s14s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17NO4
All Atoms:40
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:6.6391
Area:454.531
Solvation:-4.72418
Coulombic:-48.5945
Bond Count [?]
All:27
Single:21
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:311.332
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.54
LogP (Chemaxon):2.27

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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