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Chemical ID: 4247075
Chemical ID:
4247075
Name [?]:
3-(3,4-dichlorophenoxy)-N-methyl-propan-1-amine
SMILES [?]:
CNCCCOc1ccc(c(c1)Cl)Cl
InChi [?]:
InChI=1/C10H13Cl2NO/c1-13-5-2-6-14-8-3-4-9(11)10(12)7-8/h3-4,7,13H,2,5-6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,8,9,3,5,12,7,10,11,14,13,2,6/rA:14nCNCCCOCCCCCCClCl/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s11;s10;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H13Cl2NO |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.24684 |
Area: | 422.714 |
Solvation: | -2.32101 |
Coulombic: | -17.3198 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 234.122 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.15 |
LogP (Chemaxon): | 2.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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