Chemical ID: 5787166

COc1ccc(cc1OC)c2cc(nc3c2c4ccccc4cc3)C(=O)O
Chemical ID:
5787166
Name [?]:
None
SMILES [?]:
COc1ccc(cc1OC)c2cc(nc3c2c4ccccc4cc3)C(=O)O
InChi [?]:
InChI=1/C22H17NO4/c1-26-19-10-8-14(11-20(19)27-2)16-12-18(22(24)25)23-17-9-7-13-5-3-4-6-15(13)21(16)17/h3-12H,1-2H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,10,20,19,21,18,23,5,24,4,7,12,22,6,17,11,15,13,3,8,16,25,14,26,27,2,9/E:(24,25)/rA:27nCOCCCCCCOCCCCNCCCCCCCCCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;d12;s13;d14;d11s15;s16;s17;d18;s19;d20;d17s21;s22;s15d23;s13;d25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H17NO4
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:7.8942
Area:538.727
Solvation:-5.57398
Coulombic:-49.8995
Bond Count [?]
All:30
Single:19
Double:11
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:359.375
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.43
LogP (Chemaxon):3.01

Name Annotations

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Descriptor Annotations

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