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Chemical ID: 5014100
Chemical ID:
5014100
Name [?]:
4-(anilinomethyl)-2,6-dichloro-phenol
SMILES [?]:
c1ccc(cc1)NCc2cc(c(c(c2)Cl)O)Cl
InChi [?]:
InChI=1/C13H11Cl2NO/c14-11-6-9(7-12(15)13(11)17)8-16-10-4-2-1-3-5-10/h1-7,16-17H,8H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,10,14,8,9,4,11,13,12,17,15,7,16/E:(2,3)(4,5)(6,7)(11,12)(14,15)/rA:17nCCCCCCNCCCCCCCClOCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s13;s12;s11;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H11Cl2NO |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.16075 |
Area: | 453.673 |
Solvation: | -2.18108 |
Coulombic: | -30.5156 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 268.138 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 4.22 |
LogP (Chemaxon): | 4.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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