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Chemical ID: 7494810
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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