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Chemical ID: 5130965
Chemical ID:
5130965
Name [?]:
2-cyclohexylaminoethyl anilinoformate
SMILES [?]:
c1ccc(cc1)NC(=O)OCCNC2CCCCC2
InChi [?]:
InChI=1/C15H22N2O2/c18-15(17-14-9-5-2-6-10-14)19-12-11-16-13-7-3-1-4-8-13/h2,5-6,9-10,13,16H,1,3-4,7-8,11-12H2,(H,17,18)
InChi Info:
AuxInfo=1/1/N:17,1,16,18,2,6,15,19,3,5,12,11,14,4,8,13,7,9,10/E:(3,4)(5,6)(7,8)(9,10)/rA:19nCCCCCCNCOOCCNCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;s12;s13;s14;s15;s16;s17;s14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H22N2O2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1034 |
Area: | 480.884 |
Solvation: | -1.91872 |
Coulombic: | -43.8114 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 262.347 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.89 |
LogP (Chemaxon): | 3.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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