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Chemical ID: 4189136
Chemical ID:
4189136
Name [?]:
ethyl 1-(3-pyridylmethyl)aziridine-2-carboxylate
SMILES [?]:
CCOC(=O)C1CN1Cc2cccnc2
InChi [?]:
InChI=1/C11H14N2O2/c1-2-15-11(14)10-8-13(10)7-9-4-3-5-12-6-9/h3-6,10H,2,7-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,12,11,13,15,9,7,10,6,4,14,8,5,3/rA:15cCCOCOCCNCCCCCNC/rB:s1;s2;s3;d4;s4;s6;s6s7;s8;s9;s10;d11;s12;d13;d10s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14N2O2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.13987 |
Area: | 395.802 |
Solvation: | -2.75518 |
Coulombic: | -28.7912 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 206.241 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 0.54 |
LogP (Chemaxon): | 0.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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