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Chemical ID: 5184703
Chemical ID:
5184703
Name [?]:
(2,6-dimethylphenyl) (2-chlorophenyl)aminoformate
SMILES [?]:
Cc1cccc(c1OC(=O)Nc2ccccc2Cl)C
InChi [?]:
InChI=1/C15H14ClNO2/c1-10-6-5-7-11(2)14(10)19-15(18)17-13-9-4-3-8-12(13)16/h3-9H,1-2H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,19,15,14,4,3,5,16,13,2,6,17,12,7,9,18,11,10,8/E:(1,2)(6,7)(10,11)/rA:19nCCCCCCCOCONCCCCCCClC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s6;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14ClNO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1506 |
Area: | 458.353 |
Solvation: | -1.30826 |
Coulombic: | -36.1161 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 275.73 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.09 |
LogP (Chemaxon): | 5.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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