Chemical ID: 4091086

Cc1cc(=O)oc2c1ccc3c2CN(CO3)c4cccc(c4)C(=O)OC
Chemical ID:
4091086
Name [?]:
None
SMILES [?]:
Cc1cc(=O)oc2c1ccc3c2CN(CO3)c4cccc(c4)C(=O)OC
InChi [?]:
InChI=1/C20H17NO5/c1-12-8-18(22)26-19-15(12)6-7-17-16(19)10-21(11-25-17)14-5-3-4-13(9-14)20(23)24-2/h3-9H,10-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,26,19,20,18,9,10,3,22,13,15,2,21,17,8,12,11,4,7,23,14,5,24,25,16,6/rA:26cCCCCOOCCCCCCCNCOCCCCCCCOOC/rB:s1;d2;s3;d4;s4;s6;s2s7;d8;s9;d10;d7s11;s12;s13;s14;s11s15;s14;s17;d18;s19;d20;d17s21;s21;d23;s23;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H17NO5
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:8.94322
Area:543.116
Solvation:-4.63469
Coulombic:-52.4841
Bond Count [?]
All:29
Single:20
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:351.353
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.83
LogP (Chemaxon):4.11

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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