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Chemical ID: 7196584
Chemical ID:
7196584
Name [?]:
2-(butylcarbamoyl)cyclohexane-1-carboxylate
SMILES [?]:
CCCCNC(=O)C1CCCCC1C(=O)[O-]
InChi [?]:
InChI=1/C12H21NO3/c1-2-3-8-13-11(14)9-6-4-5-7-10(9)12(15)16/h9-10H,2-8H2,1H3,(H,13,14)(H,15,16)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,3,10,11,9,12,4,8,13,6,14,5,7,15,16/E:(15,16)/rA:16cCCCCNCOCCCCCCCOO-/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s8s12;s13;d14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H20NO3- |
All Atoms: | 36 |
Heavy Atoms: | 16 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | -34.0549 |
Area: | 412.488 |
Solvation: | -44.3671 |
Coulombic: | -18.0221 |
Bond Count [?]
All: | 16 |
Single: | 14 |
Double: | 2 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 226.292 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.33 |
LogP (Chemaxon): | 1.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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