Chemical ID: 4959410

CCCCCC(C(=O)O)NC(=O)C
Chemical ID:
4959410
Name [?]:
2-acetamidoheptanoic acid
SMILES [?]:
CCCCCC(C(=O)O)NC(=O)C
InChi [?]:
InChI=1/C9H17NO3/c1-3-4-5-6-8(9(12)13)10-7(2)11/h8H,3-6H2,1-2H3,(H,10,11)(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,13,2,3,4,5,11,6,7,10,12,8,9/E:(12,13)/rA:13cCCCCCCCOONCOC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s6;s10;d11;s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H17NO3
All Atoms:13
Heavy Atoms:13
Chiral Atoms:1
ZAP Information [?]
Total:6.99027
Area:390.203
Solvation:-2.76481
Coulombic:-47.1529
Bond Count [?]
All:12
Single:10
Double:2
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:187.236
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.68
LogP (Chemaxon):0.95

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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