Chemical ID: 4517673

CC(=O)NCCc1ccccc1
Chemical ID:
4517673
Name [?]:
N-phenethylacetamide
SMILES [?]:
CC(=O)NCCc1ccccc1
InChi [?]:
InChI=1/C10H13NO/c1-9(12)11-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,10,9,11,8,12,6,5,2,7,4,3/E:(3,4)(5,6)/rA:12nCCONCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H13NO
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.88753
Area:354.403
Solvation:-1.97255
Coulombic:-21.2562
Bond Count [?]
All:12
Single:8
Double:4
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:163.216
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.58
LogP (Chemaxon):1.24

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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