Chemical ID: 4515312

CCN(CC)c1ccc2cc(c(=O)oc2c1)C(=O)OCC
Chemical ID:
4515312
Name [?]:
ethyl 7-diethylamino-2-oxo-chromene-3-carboxylate
SMILES [?]:
CCN(CC)c1ccc2cc(c(=O)oc2c1)C(=O)OCC
InChi [?]:
InChI=1/C16H19NO4/c1-4-17(5-2)12-8-7-11-9-13(15(18)20-6-3)16(19)21-14(11)10-12/h7-10H,4-6H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,5,21,2,4,20,8,7,10,16,9,6,11,15,17,12,3,18,13,19,14/E:(1,2)(4,5)/rA:21nCCNCCCCCCCCCOOCCCOOCC/rB:s1;s2;s3;s4;s3;s6;d7;s8;s9;d10;s11;d12;s12;d9s14;d6s15;s11;d17;s17;s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H19NO4
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.25074
Area:499.207
Solvation:-3.22942
Coulombic:-43.9902
Bond Count [?]
All:22
Single:16
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:289.326
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.11
LogP (Chemaxon):2.95

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Descriptor Annotations

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