Chemical ID: 6424159

COc1cc2c(cc1OC)C3=C(c4cc5c(cc4CC3)OCO5)NC2
Chemical ID:
6424159
Name [?]:
None
SMILES [?]:
COc1cc2c(cc1OC)C3=C(c4cc5c(cc4CC3)OCO5)NC2
InChi [?]:
InChI=1/C20H19NO4/c1-22-16-6-12-9-21-20-13(14(12)7-17(16)23-2)4-3-11-5-18-19(8-15(11)20)25-10-24-18/h5-8,21H,3-4,9-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,19,20,17,4,7,14,25,22,18,5,11,6,13,3,8,16,15,12,24,2,9,21,23/rA:25nCOCCCCCCOCCCCCCCCCCCOCONC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;s12;s13;d14;s15;d16;d13s17;s18;s11s19;s16;s21;s15s22;s12;s5s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19NO4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:6.52477
Area:509.867
Solvation:-6.22192
Coulombic:-41.5741
Bond Count [?]
All:29
Single:22
Double:7
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:337.369
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.24
LogP (Chemaxon):1.98

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Descriptor Annotations

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