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Chemical ID: 7349306
Chemical ID:
7349306
Name [?]:
None
SMILES [?]:
COc1ccc(cc1)C(=O)N2CCc3c(c4cc(ccc4[nH]3)OC)C2
InChi [?]:
InChI=1/C20H20N2O3/c1-24-14-5-3-13(4-6-14)20(23)22-10-9-19-17(12-22)16-11-15(25-2)7-8-18(16)21-19/h3-8,11,21H,9-10,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,5,7,4,8,19,20,13,12,17,25,6,3,18,16,15,21,14,9,22,11,10,2,23/E:(3,4)(5,6)/rA:25nCOCCCCCCCONCCCCCCCCCCNOCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;s13;d14;s15;s16;d17;s18;d19;d16s20;s14s21;s18;s23;s11s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20N2O3 |
All Atoms: | 45 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.18522 |
Area: | 531.168 |
Solvation: | -5.09397 |
Coulombic: | -42.0195 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 336.384 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.04 |
LogP (Chemaxon): | 2.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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