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Chemical ID: 6443734
Chemical ID:
6443734
Name [?]:
N-(5-amino-2-methyl-phenyl)propanamide
SMILES [?]:
CCC(=O)Nc1cc(ccc1C)N
InChi [?]:
InChI=1/C10H14N2O/c1-3-10(13)12-9-6-8(11)5-4-7(9)2/h4-6H,3,11H2,1-2H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,12,2,10,9,7,11,8,6,3,13,5,4/rA:13nCCCONCCCCCCCN/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s11;s8;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H14N2O |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.8902 |
Area: | 355.84 |
Solvation: | -2.0058 |
Coulombic: | -36.0739 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 178.231 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 0.94 |
LogP (Chemaxon): | 1.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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