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Chemical ID: 6527188
Chemical ID:
6527188
Name [?]:
N-[2-hydroxy-1-(hydroxymethyl)ethyl]-3-(trifluoromethyl)benzamide
SMILES [?]:
c1cc(cc(c1)C(F)(F)F)C(=O)NC(CO)CO
InChi [?]:
InChI=1/C11H12F3NO3/c12-11(13,14)8-3-1-2-7(4-8)10(18)15-9(5-16)6-17/h1-4,9,16-17H,5-6H2,(H,15,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,4,15,17,3,5,14,11,7,8,9,10,13,16,18,12/E:(5,6)(12,13,14)(16,17)/rA:18nCCCCCCCFFFCONCCOCO/rB:s1;d2;s3;d4;d1s5;s5;s7;s7;s7;s3;d11;s11;s13;s14;s15;s14;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H12F3NO3 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.4354 |
Area: | 417.239 |
Solvation: | -4.99556 |
Coulombic: | -72.3146 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 263.213 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 0.97 |
LogP (Chemaxon): | 1.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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