Chemical ID: 6529572

CCC(C)c1ccccc1
Chemical ID:
6529572
Name [?]:
sec-butylbenzene
SMILES [?]:
CCC(C)c1ccccc1
InChi [?]:
InChI=1/C10H14/c1-3-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,4,2,8,7,9,6,10,3,5/E:(5,6)(7,8)/rA:10cCCCCCCCCCC/rB:s1;s2;s3;s3;s5;d6;s7;d8;d5s9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H14
All Atoms:10
Heavy Atoms:10
Chiral Atoms:1
ZAP Information [?]
Total:7.25245
Area:308.857
Solvation:-0.46898
Coulombic:-3.20108
Bond Count [?]
All:10
Single:7
Double:3
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:134.218
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:4.0
LogP (Chemaxon):3.64

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Experimental Annotations

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Descriptor Annotations

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