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Chemical ID: 7746187
Chemical ID:
7746187
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)C2CC(=NN2C(=O)c3ccco3)c4ccccc4O
InChi [?]:
InChI=1/C21H18N2O3/c1-14-8-10-15(11-9-14)18-13-17(16-5-2-3-6-19(16)24)22-23(18)21(25)20-7-4-12-26-20/h2-12,18,24H,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,22,23,17,21,24,16,3,7,4,6,18,9,2,5,20,10,8,25,15,13,11,12,26,14,19/E:(8,9)(10,11)/rA:26cCCCCCCCCCCNNCOCCCCOCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s8s11;s12;d13;s13;d15;s16;d17;s15s18;s10;s20;d21;s22;d23;d20s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H18N2O3 |
All Atoms: | 44 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.81855 |
Area: | 536.913 |
Solvation: | -4.60426 |
Coulombic: | -40.9374 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.2 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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