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Chemical ID: 6505599
Chemical ID:
6505599
Name [?]:
[4-(ethoxycarbonylmethyl)cyclohexyl]ammonium
SMILES [?]:
CCOC(=O)CC1CCC(CC1)[NH3+]
InChi [?]:
InChI=1/C10H19NO2/c1-2-13-10(12)7-8-3-5-9(11)6-4-8/h8-9H,2-7,11H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,2,8,12,9,11,6,7,10,4,13,5,3/E:(3,4)(5,6)/rA:13nCCOCOCCCCCCCN+/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s10;s7s11;s10;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H20NO2+ |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -30.3948 |
Area: | 372.067 |
Solvation: | -39.6964 |
Coulombic: | 23.4951 |
Bond Count [?]
All: | 13 |
Single: | 12 |
Double: | 1 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 186.271 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.21 |
LogP (Chemaxon): | 0.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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