Chemical ID: 5158588

COc1cc2c(cc1OC)-c3c(oc(=O)n3CC2)c4ccccc4
Chemical ID:
5158588
Name [?]:
None
SMILES [?]:
COc1cc2c(cc1OC)-c3c(oc(=O)n3CC2)c4ccccc4
InChi [?]:
InChI=1/C19H17NO4/c1-22-15-10-13-8-9-20-17(14(13)11-16(15)23-2)18(24-19(20)21)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,22,21,23,20,24,18,17,4,7,19,5,6,3,8,11,12,14,16,15,2,9,13/E:(4,5)(6,7)/rA:24nCOCCCCCCOCCCOCONCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;s12;s13;d14;s11s14;s16;s5s17;s12;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17NO4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:6.83022
Area:481.561
Solvation:-5.2088
Coulombic:-43.7618
Bond Count [?]
All:27
Single:19
Double:8
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:323.343
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.4
LogP (Chemaxon):3.06

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Experimental Annotations

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Descriptor Annotations

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