Chemical ID: 7014666

c1ccc2c(c1)ccc3c2c(co3)CC(=O)N4CCOCC4
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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