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Chemical ID: 6126794
Chemical ID:
6126794
Name [?]:
2-hydroxy-N-[(2-hydroxy-1H-indol-3-yl)imino]-2-methyl-propanamide
SMILES [?]:
CC(C)(C(=O)N=Nc1c2ccccc2[nH]c1O)O
InChi [?]:
InChI=1/C12H13N3O3/c1-12(2,18)11(17)15-14-9-7-5-3-4-6-8(7)13-10(9)16/h3-6,13,16,18H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,11,12,10,13,9,14,8,16,4,2,15,7,6,17,5,18/E:(1,2)/rA:18nCCCCONNCCCCCCCNCOO/rB:s1;s2;s2;d4;s4;w6;s7;s8;s9;d10;s11;d12;d9s13;s14;d8s15;s16;s2;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H13N3O3 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.21812 |
Area: | 413.092 |
Solvation: | -3.10918 |
Coulombic: | -61.0497 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 247.25 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.61 |
LogP (Chemaxon): | 2.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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