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Chemical ID: 5239188
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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