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Chemical ID: 4942309
Chemical ID:
4942309
Name [?]:
2-propanoylaminohexanoic acid
SMILES [?]:
CCCCC(C(=O)O)NC(=O)CC
InChi [?]:
InChI=1/C9H17NO3/c1-3-5-6-7(9(12)13)10-8(11)4-2/h7H,3-6H2,1-2H3,(H,10,11)(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,13,2,12,3,4,5,10,6,9,11,7,8/E:(12,13)/rA:13cCCCCCCOONCOCC/rB:s1;s2;s3;s4;s5;d6;s6;s5;s9;d10;s10;s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H17NO3 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.0317 |
Area: | 387.423 |
Solvation: | -2.65387 |
Coulombic: | -47.5135 |
Bond Count [?]
All: | 12 |
Single: | 10 |
Double: | 2 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 187.236 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.37 |
LogP (Chemaxon): | 1.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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