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Chemical ID: 4414731
Chemical ID:
4414731
Name [?]:
N-[3-(3,4-dichlorophenoxy)propyl]-3-methoxy-propan-1-amine
SMILES [?]:
COCCCNCCCOc1ccc(c(c1)Cl)Cl
InChi [?]:
InChI=1/C13H19Cl2NO2/c1-17-8-2-6-16-7-3-9-18-11-4-5-12(14)13(15)10-11/h4-5,10,16H,2-3,6-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,8,12,13,5,7,3,9,16,11,14,15,18,17,6,2,10/rA:18nCOCCCNCCCOCCCCCCClCl/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s15;s14;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H19Cl2NO2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.05255 |
Area: | 527.446 |
Solvation: | -4.1336 |
Coulombic: | -24.7387 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 292.201 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.32 |
LogP (Chemaxon): | 2.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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