Chemical ID: 4253741

CCC(C)c1ccc(cc1)C(=O)CC
Chemical ID:
4253741
Name [?]:
1-(4-sec-butylphenyl)propan-1-one
SMILES [?]:
CCC(C)c1ccc(cc1)C(=O)CC
InChi [?]:
InChI=1/C13H18O/c1-4-10(3)11-6-8-12(9-7-11)13(14)5-2/h6-10H,4-5H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,14,4,2,13,6,10,7,9,3,5,8,11,12/E:(6,7)(8,9)/rA:14cCCCCCCCCCCCOCC/rB:s1;s2;s3;s3;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H18O
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:8.1936
Area:390.853
Solvation:-1.57772
Coulombic:-10.2239
Bond Count [?]
All:14
Single:10
Double:4
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:190.281
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.09
LogP (Chemaxon):3.57

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Descriptor Annotations

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