Chemical ID: 6908633

CCN(CC)C(=O)COc1c(=O)c2ccccc2oc1c3ccccc3Cl
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

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Descriptor Annotations

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