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Chemical ID: 6663664
Chemical ID:
6663664
Name [?]:
2-hydroxy-N-propyl-benzamide
SMILES [?]:
CCCNC(=O)c1ccccc1O
InChi [?]:
InChI=1/C10H13NO2/c1-2-7-11-10(13)8-5-3-4-6-9(8)12/h3-6,12H,2,7H2,1H3,(H,11,13)
InChi Info:
AuxInfo=1/1/N:1,2,9,10,8,11,3,7,12,5,4,13,6/rA:13nCCCNCOCCCCCCO/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H13NO2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.32541 |
Area: | 362.35 |
Solvation: | -2.73333 |
Coulombic: | -38.2957 |
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: | 2.23 |
LogP (Chemaxon): | 2.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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