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Chemical ID: 5112806
Chemical ID:
5112806
Name [?]:
N-(3-amino-4-methyl-phenyl)acetamide
SMILES [?]:
Cc1ccc(cc1N)NC(=O)C
InChi [?]:
InChI=1/C9H12N2O/c1-6-3-4-8(5-9(6)10)11-7(2)12/h3-5H,10H2,1-2H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,12,3,4,6,2,10,5,7,8,9,11/rA:12nCCCCCCCNNCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H12N2O |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.25431 |
Area: | 333.824 |
Solvation: | -2.0913 |
Coulombic: | -35.345 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 164.204 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 0.68 |
LogP (Chemaxon): | 1.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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