Chemical ID: 4314254

COC(=O)C1CN1Cc2cccnc2
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

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Experimental Annotations

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Descriptor Annotations

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