Chemical ID: 7433106

Cc1ccccc1OC(=O)Nc2cccc(c2)Cl
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue