Chemical ID: 4681081

CC(c1ccccc1)NC(=O)OC
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

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Descriptor Annotations

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