ChemDB: Chemical Search
Download
Chemical ID: 4314254
Chemical ID:
4314254
Name [?]:
methyl 1-(3-pyridylmethyl)aziridine-2-carboxylate
SMILES [?]:
COC(=O)C1CN1Cc2cccnc2
InChi [?]:
InChI=1/C10H12N2O2/c1-14-10(13)9-7-12(9)6-8-3-2-4-11-5-8/h2-5,9H,6-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,11,10,12,14,8,6,9,5,3,13,7,4,2/rA:14cCOCOCCNCCCCCNC/rB:s1;s2;d3;s3;s5;s5s6;s7;s8;s9;d10;s11;d12;d9s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H12N2O2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 6.33024 |
Area: | 367.202 |
Solvation: | -2.8498 |
Coulombic: | -28.4715 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 192.215 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 0.12 |
LogP (Chemaxon): | 0.21 |
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 |
---|