Chemical ID: 5776288

c1cc(oc1)C(CC(=O)O)N2C(=O)C3C4CCC(C4)C3C2=O
Chemical ID:
5776288
Name [?]:
None
SMILES [?]:
c1cc(oc1)C(CC(=O)O)N2C(=O)C3C4CCC(C4)C3C2=O
InChi [?]:
InChI=1/C16H17NO5/c18-12(19)7-10(11-2-1-5-22-11)17-15(20)13-8-3-4-9(6-8)14(13)16(17)21/h1-2,5,8-10,13-14H,3-4,6-7H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,16,17,5,19,7,15,18,6,3,8,14,20,12,21,11,9,10,13,22,4/E:(3,4)(8,9)(13,14)(15,16)(18,19)(20,21)/rA:22cCCCOCCCCOONCOCCCCCCCCO/rB:s1;d2;s3;d1s4;s3;s6;s7;d8;s8;s6;s11;d12;s12;s14;s15;s16;s17;s15s18;s14s18;s11s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H17NO5
All Atoms:22
Heavy Atoms:22
Chiral Atoms:5
ZAP Information [?]
Total:6.11637
Area:436.378
Solvation:-4.79307
Coulombic:-54.5882
Bond Count [?]
All:25
Single:20
Double:5
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:303.31
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:0.71
LogP (Chemaxon):0.86

Name Annotations

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Descriptor Annotations

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