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Chemical ID: 5170933
Chemical ID:
5170933
Name [?]:
(4-chlorophenyl) (3-chloro-2-methyl-phenyl)aminoformate
SMILES [?]:
Cc1c(cccc1Cl)NC(=O)Oc2ccc(cc2)Cl
InChi [?]:
InChI=1/C14H11Cl2NO2/c1-9-12(16)3-2-4-13(9)17-14(18)19-11-7-5-10(15)6-8-11/h2-8H,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,15,17,14,18,2,16,13,7,3,10,19,8,9,11,12/E:(5,6)(7,8)/rA:19nCCCCCCCClNCOOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s3;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H11Cl2NO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.587 |
Area: | 479.449 |
Solvation: | -1.3992 |
Coulombic: | -35.639 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 296.148 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.48 |
LogP (Chemaxon): | 5.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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