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Chemical ID: 7088196
Chemical ID:
7088196
Name [?]:
2-(3-chloro-4-methoxy-phenyl)ethanamine
SMILES [?]:
COc1ccc(cc1Cl)CCN
InChi [?]:
InChI=1/C9H12ClNO/c1-12-9-3-2-7(4-5-11)6-8(9)10/h2-3,6H,4-5,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,4,10,11,7,6,8,3,9,12,2/rA:12nCOCCCCCCClCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s6;s10;s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H12ClNO |
All Atoms: | 24 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.65506 |
Area: | 359.752 |
Solvation: | -2.33873 |
Coulombic: | -20.8411 |
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: | 1.84 |
LogP (Chemaxon): | 1.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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