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Chemical ID: 4744418
Chemical ID:
4744418
Name [?]:
cyclohexylideneamino 4-chlorobenzoate
SMILES [?]:
c1cc(ccc1C(=O)ON=C2CCCCC2)Cl
InChi [?]:
InChI=1/C13H14ClNO2/c14-11-8-6-10(7-9-11)13(16)17-15-12-4-2-1-3-5-12/h6-9H,1-5H2
InChi Info:
AuxInfo=1/0/N:14,13,15,12,16,1,5,2,4,6,3,11,7,17,10,8,9/E:(2,3)(4,5)(6,7)(8,9)/rA:17nCCCCCCCOONCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;d10;s11;s12;s13;s14;s11s15;s3;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H14ClNO2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.45748 |
Area: | 443.995 |
Solvation: | -1.64239 |
Coulombic: | -17.7854 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 251.708 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.97 |
LogP (Chemaxon): | 4.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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