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Chemical ID: 7014666
Chemical ID:
7014666
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)ccc3c2c(co3)CC(=O)N4CCOCC4
InChi [?]:
InChI=1/C18H17NO3/c20-17(19-7-9-21-10-8-19)11-14-12-22-16-6-5-13-3-1-2-4-15(13)18(14)16/h1-6,12H,7-11H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,7,8,18,22,19,21,14,12,5,11,4,9,15,10,17,16,20,13/E:(7,8)(9,10)/rA:22nCCCCCCCCCCCCOCCONCCOCC/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s9s12;s11;s14;d15;s15;s17;s18;s19;s20;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H17NO3 |
All Atoms: | 39 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.92436 |
Area: | 472.36 |
Solvation: | -4.88465 |
Coulombic: | -30.824 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 295.333 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.21 |
LogP (Chemaxon): | 2.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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