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Chemical ID: 6504416
Chemical ID:
6504416
Name [?]:
N-(2-hydroxy-1-methyl-ethyl)benzamide
SMILES [?]:
CC(CO)NC(=O)c1ccccc1
InChi [?]:
InChI=1/C10H13NO2/c1-8(7-12)11-10(13)9-5-3-2-4-6-9/h2-6,8,12H,7H2,1H3,(H,11,13)
InChi Info:
AuxInfo=1/1/N:1,11,10,12,9,13,3,2,8,6,5,4,7/E:(3,4)(5,6)/rA:13cCCCONCOCCCCCC/rB:s1;s2;s3;s2;s5;d6;s6;s8;d9;s10;d11;d8s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H13NO2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.53541 |
Area: | 360.154 |
Solvation: | -2.46845 |
Coulombic: | -39.9238 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 179.216 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 1.18 |
LogP (Chemaxon): | 0.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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