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Chemical ID: 4681081
Chemical ID:
4681081
Name [?]:
methyl 1-phenylethylaminoformate
SMILES [?]:
CC(c1ccccc1)NC(=O)OC
InChi [?]:
InChI=1/C10H13NO2/c1-8(11-10(12)13-2)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,13,6,5,7,4,8,2,3,10,9,11,12/E:(4,5)(6,7)/rA:13cCCCCCCCCNCOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;d10;s10;s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H13NO2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.37874 |
Area: | 362.503 |
Solvation: | -1.68383 |
Coulombic: | -35.1963 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 179.216 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.12 |
LogP (Chemaxon): | 2.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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