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Chemical ID: 6506030
Chemical ID:
6506030
Name [?]:
5-[bis(2-cyanoethyl)amino]-5-oxo-pentanoic acid
SMILES [?]:
C(CC(=O)N(CCC#N)CCC#N)CC(=O)O
InChi [?]:
InChI=1/C11H15N3O3/c12-6-2-8-14(9-3-7-13)10(15)4-1-5-11(16)17/h1-5,8-9H2,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,7,11,2,14,8,12,6,10,3,15,9,13,5,4,16,17/E:(2,3)(6,7)(8,9)(12,13)(16,17)/rA:17nCCCONCCCNCCCNCCOO/rB:s1;s2;d3;s3;s5;s6;s7;t8;s5;s10;s11;t12;s1;s14;d15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H15N3O3 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.01635 |
Area: | 482.546 |
Solvation: | -5.04729 |
Coulombic: | -43.3993 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 2 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 237.255 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | -1.12 |
LogP (Chemaxon): | -0.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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