ChemDB: Chemical Search
Download
Chemical ID: 4704917
Chemical ID:
4704917
Name [?]:
benzyl morpholinocarbonylmethylaminoformate
SMILES [?]:
c1ccc(cc1)COC(=O)NCC(=O)N2CCOCC2
InChi [?]:
InChI=1/C14H18N2O4/c17-13(16-6-8-19-9-7-16)10-15-14(18)20-11-12-4-2-1-3-5-12/h1-5H,6-11H2,(H,15,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,16,20,17,19,12,7,4,13,9,11,15,14,10,18,8/E:(2,3)(4,5)(6,7)(8,9)/rA:20nCCCCCCCOCONCCONCCOCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;d13;s13;s15;s16;s17;s18;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H18N2O4 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.0085 |
Area: | 493.782 |
Solvation: | -4.33604 |
Coulombic: | -58.385 |
Bond Count [?]
All: | 21 |
Single: | 16 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 278.304 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 0.51 |
LogP (Chemaxon): | 0.44 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|