Chemical ID: 5239188

CC(=CCOc1c2c(cc3c1OCO3)c(c4ccoc4n2)OC)C
Chemical ID:
5239188
Name [?]:
None
SMILES [?]:
CC(=CCOc1c2c(cc3c1OCO3)c(c4ccoc4n2)OC)C
InChi [?]:
InChI=1/C18H17NO5/c1-10(2)4-6-21-17-14-12(8-13-16(17)24-9-23-13)15(20-3)11-5-7-22-18(11)19-14/h4-5,7-8H,6,9H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,24,23,3,17,4,18,9,13,2,16,8,10,7,15,11,6,20,21,22,5,19,14,12/E:(1,2)/rA:24nCCCCOCCCCCCOCOCCCCOCNOCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;d9;d6s10;s11;s12;s10s13;d8;s15;s16;d17;s18;d16s19;d7s20;s15;s22;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17NO5
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:7.33362
Area:517.325
Solvation:-5.5995
Coulombic:-44.9121
Bond Count [?]
All:27
Single:20
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:327.331
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.68
LogP (Chemaxon):3.57

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Descriptor Annotations

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