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Chemical ID: 4953975
Chemical ID:
4953975
Name [?]:
2-hydroxyethyl 1-phenylethylaminoformate
SMILES [?]:
CC(c1ccccc1)NC(=O)OCCO
InChi [?]:
InChI=1/C11H15NO3/c1-9(10-5-3-2-4-6-10)12-11(14)15-8-7-13/h2-6,9,13H,7-8H2,1H3,(H,12,14)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,4,8,14,13,2,3,10,9,15,11,12/E:(3,4)(5,6)/rA:15cCCCCCCCCNCOOCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;d10;s10;s12;s13;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H15NO3 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.97172 |
Area: | 409.194 |
Solvation: | -3.25814 |
Coulombic: | -51.2428 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 209.242 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.41 |
LogP (Chemaxon): | 1.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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