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Chemical ID: 7108948
Chemical ID:
7108948
Name [?]:
1-(5-chloro-2-methoxy-phenyl)-N-[(2-chlorophenyl)methyl]methanamine
SMILES [?]:
COc1ccc(cc1CNCc2ccccc2Cl)Cl
InChi [?]:
InChI=1/C15H15Cl2NO/c1-19-15-7-6-13(16)8-12(15)10-18-9-11-4-2-3-5-14(11)17/h2-8,18H,9-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,15,13,16,5,4,7,11,9,12,8,6,17,3,19,18,10,2/rA:19nCOCCCCCCCNCCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;s6;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H15Cl2NO |
All Atoms: | 34 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.85393 |
Area: | 495.139 |
Solvation: | -2.52455 |
Coulombic: | -19.1092 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 296.191 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.4 |
LogP (Chemaxon): | 4.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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