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Chemical ID: 5036555
Chemical ID:
5036555
Name [?]:
(2-methylaziridin-1-yl)-(m-tolyl)methanone
SMILES [?]:
Cc1cccc(c1)C(=O)N2CC2C
InChi [?]:
InChI=1/C11H13NO/c1-8-4-3-5-10(6-8)11(13)12-7-9(12)2/h3-6,9H,7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,4,3,5,7,11,2,12,6,8,10,9/rA:13cCCCCCCCCONCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s10s11;s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H13NO |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.09852 |
Area: | 357.11 |
Solvation: | -1.82923 |
Coulombic: | -18.2653 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 175.227 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.26 |
LogP (Chemaxon): | 1.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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