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Chemical ID: 7108967
Chemical ID:
7108967
Name [?]:
N'-[(5-chloro-2-methoxy-phenyl)methyl]-N,N-dimethyl-propane-1,3-diamine
SMILES [?]:
CN(C)CCCNCc1cc(ccc1OC)Cl
InChi [?]:
InChI=1/C13H21ClN2O/c1-16(2)8-4-7-15-10-11-9-12(14)5-6-13(11)17-3/h5-6,9,15H,4,7-8,10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,16,5,12,13,6,4,10,8,9,11,14,17,7,2,15/E:(1,2)/rA:17nCNCCCCNCCCCCCCOCCl/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s14;s15;s11;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H21ClN2O |
All Atoms: | 38 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.8488 |
Area: | 480.325 |
Solvation: | -3.15932 |
Coulombic: | -21.4158 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 256.771 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.28 |
LogP (Chemaxon): | 1.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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