Chemical ID: 7494810

c1ccc(cc1)C(=O)ON=C2CCCCC2
Chemical ID:
7494810
Name [?]:
cyclohexylideneamino benzoate
SMILES [?]:
c1ccc(cc1)C(=O)ON=C2CCCCC2
InChi [?]:
InChI=1/C13H15NO2/c15-13(11-7-3-1-4-8-11)16-14-12-9-5-2-6-10-12/h1,3-4,7-8H,2,5-6,9-10H2
InChi Info:
AuxInfo=1/0/N:1,14,2,6,13,15,3,5,12,16,4,11,7,10,8,9/E:(3,4)(5,6)(7,8)(9,10)/rA:16nCCCCCCCOONCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;d10;s11;s12;s13;s14;s11s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H15NO2
All Atoms:31
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.63058
Area:408.402
Solvation:-1.57947
Coulombic:-17.9569
Bond Count [?]
All:17
Single:12
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:217.264
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.35
LogP (Chemaxon):3.7

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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