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Chemical ID: 6908633
Chemical ID:
6908633
Name [?]:
2-[2-(2-chlorophenyl)-4-oxo-chromen-3-yl]oxy-N,N-diethyl-acetamide
SMILES [?]:
CCN(CC)C(=O)COc1c(=O)c2ccccc2oc1c3ccccc3Cl
InChi [?]:
InChI=1/C21H20ClNO4/c1-3-23(4-2)18(24)13-26-21-19(25)15-10-6-8-12-17(15)27-20(21)14-9-5-7-11-16(14)22/h5-12H,3-4,13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,23,15,24,16,22,14,25,17,8,21,13,26,18,6,11,20,10,27,3,7,12,9,19/E:(1,2)(3,4)/rA:27nCCNCCCOCOCCOCCCCCCOCCCCCCCCl/rB:s1;s2;s3;s4;s3;d6;s6;s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;d10s19;s20;s21;d22;s23;d24;d21s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H20ClNO4 |
All Atoms: | 47 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0115 |
Area: | 574.382 |
Solvation: | -4.34803 |
Coulombic: | -43.9291 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 385.841 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.65 |
LogP (Chemaxon): | 3.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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