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Chemical ID: 4085052
Chemical ID:
4085052
Name [?]:
ethyl 2-(2-carbamoylaziridin-1-yl)-3-phenyl-propanoate
SMILES [?]:
CCOC(=O)C(Cc1ccccc1)N2CC2C(=O)N
InChi [?]:
InChI=1/C14H18N2O3/c1-2-19-14(18)11(16-9-12(16)13(15)17)8-10-6-4-3-5-7-10/h3-7,11-12H,2,8-9H2,1H3,(H2,15,17)
InChi Info:
AuxInfo=1/1/N:1,2,11,10,12,9,13,7,15,8,6,16,17,4,19,14,18,5,3/E:(4,5)(6,7)/rA:19cCCOCOCCCCCCCCNCCCON/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s6;s14;s14s15;s16;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H18N2O3 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 7.86578 |
Area: | 431.297 |
Solvation: | -2.91664 |
Coulombic: | -51.1879 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 262.304 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 0.71 |
LogP (Chemaxon): | 0.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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