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Chemical ID: 4145513
Chemical ID:
4145513
Name [?]:
N-(3-hydroxyphenyl)propanamide
SMILES [?]:
CCC(=O)Nc1cccc(c1)O
InChi [?]:
InChI=1/C9H11NO2/c1-2-9(12)10-7-4-3-5-8(11)6-7/h3-6,11H,2H2,1H3,(H,10,12)
InChi Info:
AuxInfo=1/1/N:1,2,8,7,9,11,6,10,3,5,12,4/rA:12nCCCONCCCCCCO/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H11NO2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.76703 |
Area: | 335.48 |
Solvation: | -2.61998 |
Coulombic: | -35.7698 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 165.189 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 1.12 |
LogP (Chemaxon): | 1.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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