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Chemical ID: 7007149
Chemical ID:
7007149
Name [?]:
[5-chloro-2-(3-chloropropylamino)phenyl]-phenyl-methanone
SMILES [?]:
c1ccc(cc1)C(=O)c2cc(ccc2NCCCCl)Cl
InChi [?]:
InChI=1/C16H15Cl2NO/c17-9-4-10-19-15-8-7-13(18)11-14(15)16(20)12-5-2-1-3-6-12/h1-3,5-8,11,19H,4,9-10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,17,3,5,12,13,18,16,10,4,11,9,14,7,19,20,15,8/E:(2,3)(5,6)/rA:20nCCCCCCCOCCCCCCNCCCClCl/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;d10;s11;d12;d9s13;s14;s15;s16;s17;s18;s11;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15Cl2NO |
All Atoms: | 35 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8361 |
Area: | 524.738 |
Solvation: | -2.28238 |
Coulombic: | -23.6075 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 308.202 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.4 |
LogP (Chemaxon): | 4.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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