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Chemical ID: 6913782
Chemical ID:
6913782
Name [?]:
2-amino-5-(methylamino-methylimino-methyl)amino-pentanoic acid
SMILES [?]:
CNC(=NC)NCCCC(C(=O)O)N
InChi [?]:
InChI=1/C8H18N4O2/c1-10-8(11-2)12-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H,13,14)(H2,10,11,12)
InChi Info:
AuxInfo=1/1/N:1,5,8,9,7,10,11,3,14,2,4,6,12,13/E:(1,2)(10,11)(13,14)/rA:14cCNCNCNCCCCCOON/rB:s1;s2;w3;s4;s3;s6;s7;s8;s9;s10;d11;s11;s10;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H18N4O2 |
All Atoms: | 32 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.11606 |
Area: | 416.891 |
Solvation: | -3.30622 |
Coulombic: | -66.8545 |
Bond Count [?]
All: | 13 |
Single: | 11 |
Double: | 2 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 202.254 |
H-Bond Donors: | 5 |
H-Bond Acceptors: | 6 |
XLogP: | -2.49 |
LogP (Chemaxon): | -3.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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