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Chemical ID: 5168358
Chemical ID:
5168358
Name [?]:
methyl 3-(1-methyl-1-azoniacycloprop-1-yl)propanoate
SMILES [?]:
C[N+]1(CC1)CCC(=O)OC
InChi [?]:
InChI=1/C7H14NO2/c1-8(5-6-8)4-3-7(9)10-2/h3-6H2,1-2H3/q+1
InChi Info:
AuxInfo=1/0/N:1,10,6,5,3,4,7,2,8,9/E:(5,6)/CRV:8+1/rA:10nCN+CCCCCOOC/rB:s1;s2;s2s3;s2;s5;s6;d7;s7;s9;/rC:;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H14NO2+ |
All Atoms: | 10 |
Heavy Atoms: | 10 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -23.5923 |
Area: | 320.414 |
Solvation: | -31.6026 |
Coulombic: | 11.7581 |
Bond Count [?]
All: | 10 |
Single: | 9 |
Double: | 1 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 144.192 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | -1.56 |
LogP (Chemaxon): | -4.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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