Chemical ID: 4567387

Cc1c(ccc2c1oc(=O)c3c2CCC3)OCC(=O)NCC(=O)O
Chemical ID:
4567387
Name [?]:
None
SMILES [?]:
Cc1c(ccc2c1oc(=O)c3c2CCC3)OCC(=O)NCC(=O)O
InChi [?]:
InChI=1/C17H17NO6/c1-9-13(23-8-14(19)18-7-15(20)21)6-5-11-10-3-2-4-12(10)17(22)24-16(9)11/h5-6H,2-4,7-8H2,1H3,(H,18,19)(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,14,13,15,5,4,21,17,2,12,6,11,3,18,22,7,9,20,19,23,24,10,16,8/E:(20,21)/rA:24nCCCCCCCOCOCCCCCOCCONCCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s6d11;s12;s13;s11s14;s3;s16;s17;d18;s18;s20;s21;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17NO6
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:7.5452
Area:532.868
Solvation:-5.77649
Coulombic:-72.4453
Bond Count [?]
All:26
Single:19
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:331.32
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:0.99
LogP (Chemaxon):1.62

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Descriptor Annotations

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