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Chemical ID: 7093844
Chemical ID:
7093844
Name [?]:
2-(4-chloro-3-methyl-phenoxy)ethanamine
SMILES [?]:
Cc1cc(ccc1Cl)OCCN
InChi [?]:
InChI=1/C9H12ClNO/c1-7-6-8(12-5-4-11)2-3-9(7)10/h2-3,6H,4-5,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,6,11,10,3,2,4,7,8,12,9/rA:12nCCCCCCCClOCCN/rB:s1;s2;d3;s4;d5;d2s6;s7;s4;s9;s10;s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H12ClNO |
All Atoms: | 24 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.3897 |
Area: | 357.604 |
Solvation: | -2.55042 |
Coulombic: | -20.1153 |
Bond Count [?]
All: | 12 |
Single: | 9 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 185.65 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 2.01 |
LogP (Chemaxon): | 1.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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