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Chemical ID: 7433106
Chemical ID:
7433106
Name [?]:
o-tolyl (3-chlorophenyl)aminoformate
SMILES [?]:
Cc1ccccc1OC(=O)Nc2cccc(c2)Cl
InChi [?]:
InChI=1/C14H12ClNO2/c1-10-5-2-3-8-13(10)18-14(17)16-12-7-4-6-11(15)9-12/h2-9H,1H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,4,5,14,3,15,13,6,17,2,16,12,7,9,18,11,10,8/rA:18nCCCCCCCOCONCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H12ClNO2 |
All Atoms: | 30 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.85402 |
Area: | 447.144 |
Solvation: | -1.32457 |
Coulombic: | -35.8921 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 261.703 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.86 |
LogP (Chemaxon): | 4.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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