Chemical ID: 6673321

c1ccc(cc1)CCCCc2ccccc2
Chemical ID:
6673321
Name [?]:
4-phenylbutylbenzene
SMILES [?]:
c1ccc(cc1)CCCCc2ccccc2
InChi [?]:
InChI=1/C16H18/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2
InChi Info:
AuxInfo=1/0/N:1,14,2,6,13,15,8,9,3,5,12,16,7,10,4,11/E:(1,2)(3,4,5,6)(7,8)(9,10,11,12)(13,14)(15,16)/rA:16nCCCCCCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H18
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:9.90972
Area:432.289
Solvation:-0.897496
Coulombic:-4.79107
Bond Count [?]
All:17
Single:11
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:210.314
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:5.51
LogP (Chemaxon):5.32

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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