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Chemical ID: 5440532
Chemical ID:
5440532
Name [?]:
N-(2-morpholinoethyl)-4-oxo-chromene-2-carboxamide
SMILES [?]:
c1ccc2c(c1)c(=O)cc(o2)C(=O)NCCN3CCOCC3
InChi [?]:
InChI=1/C16H18N2O4/c19-13-11-15(22-14-4-2-1-3-12(13)14)16(20)17-5-6-18-7-9-21-10-8-18/h1-4,11H,5-10H2,(H,17,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,15,16,18,22,19,21,9,5,7,4,10,12,14,17,8,13,20,11/E:(7,8)(9,10)/rA:22nCCCCCCCOCCOCONCCNCCOCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;d9;s4s10;s10;d12;s12;s14;s15;s16;s17;s18;s19;s20;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H18N2O4 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.67901 |
Area: | 511.001 |
Solvation: | -4.09602 |
Coulombic: | -52.2268 |
Bond Count [?]
All: | 24 |
Single: | 18 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 302.325 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 0.55 |
LogP (Chemaxon): | 0.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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