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Chemical ID: 6507371
Chemical ID:
6507371
Name [?]:
2-(cyclohexylcarbamoylamino)acetic acid
SMILES [?]:
C1CCC(CC1)NC(=O)NCC(=O)O
InChi [?]:
InChI=1/C9H16N2O3/c12-8(13)6-10-9(14)11-7-4-2-1-3-5-7/h7H,1-6H2,(H,12,13)(H2,10,11,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,11,4,12,8,10,7,13,14,9/E:(2,3)(4,5)(12,13)/rA:14nCCCCCCNCONCCOO/rB:s1;s2;s3;s4;s1s5;s4;s7;d8;s8;s10;s11;d12;s12;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H16N2O3 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.37734 |
Area: | 384.334 |
Solvation: | -2.231 |
Coulombic: | -61.5618 |
Bond Count [?]
All: | 14 |
Single: | 12 |
Double: | 2 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 200.235 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 0.56 |
LogP (Chemaxon): | 0.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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