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Chemical ID: 6340091
Chemical ID:
6340091
Name [?]:
6-(cyclopropylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
SMILES [?]:
C1CC1NC(=O)C2CC=CCC2C(=O)O
InChi [?]:
InChI=1/C11H15NO3/c13-10(12-7-5-6-7)8-3-1-2-4-9(8)11(14)15/h1-2,7-9H,3-6H2,(H,12,13)(H,14,15)
InChi Info:
AuxInfo=1/1/N:9,10,8,11,1,2,3,7,12,5,13,4,6,14,15/E:(5,6)(14,15)/rA:15cCCCNCOCCCCCCCOO/rB:s1;s1s2;s3;s4;d5;s5;s7;s8;d9;s10;s7s11;s12;d13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H15NO3 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 6.66851 |
Area: | 368.886 |
Solvation: | -2.55364 |
Coulombic: | -46.5122 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 209.242 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 0.49 |
LogP (Chemaxon): | 0.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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