Chemical ID: 4744418

c1cc(ccc1C(=O)ON=C2CCCCC2)Cl
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

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Descriptor Annotations

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