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Chemical ID: 7061732
Chemical ID:
7061732
Name [?]:
3-(4-chlorophenoxy)-N,N-dimethyl-propan-1-amine
SMILES [?]:
CN(C)CCCOc1ccc(cc1)Cl
InChi [?]:
InChI=1/C11H16ClNO/c1-13(2)8-3-9-14-11-6-4-10(12)5-7-11/h4-7H,3,8-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,5,10,12,9,13,4,6,11,8,14,2,7/E:(1,2)(4,5)(6,7)/rA:14nCNCCCCOCCCCCCCl/rB:s1;s2;s2;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s11;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H16ClNO |
All Atoms: | 30 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.00778 |
Area: | 415.556 |
Solvation: | -2.38113 |
Coulombic: | -13.5957 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 213.704 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.77 |
LogP (Chemaxon): | 2.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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