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Chemical ID: 6693850
Chemical ID:
6693850
Name [?]:
1-(2-hydroxypropyl-nitroso-amino)propan-2-ol
SMILES [?]:
CC(CN(CC(C)O)N=O)O
InChi [?]:
InChI=1/C6H14N2O3/c1-5(9)3-8(7-11)4-6(2)10/h5-6,9-10H,3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,7,3,5,2,6,9,4,11,8,10/E:(1,2)(3,4)(5,6)(9,10)/rA:11cCCCNCCCONOO/rB:s1;s2;s3;s4;s5;s6;s6;s4;d9;s2;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H14N2O3 |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 4.64363 |
Area: | 332.185 |
Solvation: | -3.661 |
Coulombic: | -36.3476 |
Bond Count [?]
All: | 10 |
Single: | 9 |
Double: | 1 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 162.187 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | -0.77 |
LogP (Chemaxon): | -0.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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