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Chemical ID: 6512161
Chemical ID:
6512161
Name [?]:
N-(2-hydroxyethyl)-3-methoxy-benzamide
SMILES [?]:
COc1cccc(c1)C(=O)NCCO
InChi [?]:
InChI=1/C10H13NO3/c1-14-9-4-2-3-8(7-9)10(13)11-5-6-12/h2-4,7,12H,5-6H2,1H3,(H,11,13)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,12,13,8,7,3,9,11,14,10,2/rA:14nCOCCCCCCCONCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s9;s11;s12;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H13NO3 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.29207 |
Area: | 381.644 |
Solvation: | -4.24903 |
Coulombic: | -45.3567 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 195.215 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 0.63 |
LogP (Chemaxon): | 0.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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