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Chemical ID: 7228393
Chemical ID:
7228393
Name [?]:
4-(azaniumylmethyl)cyclohexane-1-carboxylate
SMILES [?]:
C1CC(CCC1C[NH3+])C(=O)[O-]
InChi [?]:
InChI=1/C8H15NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h6-7H,1-5,9H2,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,7,6,3,9,8,10,11/E:(1,2)(3,4)(10,11)/rA:11nCCCCCCCN+COO-/rB:s1;s2;s3;s4;s1s5;s6;s7;s3;d9;s9;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H15NO2 |
All Atoms: | 26 |
Heavy Atoms: | 11 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | -51.8205 |
Area: | 317.127 |
Solvation: | -59.7487 |
Coulombic: | 21.4739 |
Bond Count [?]
All: | 11 |
Single: | 10 |
Double: | 1 |
Rotors: | 2 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | -0.18 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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