Chemical ID: 4164926

c1ccc2c(c1)CCc3ccccc3C2=CCO
Chemical ID:
4164926
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)CCc3ccccc3C2=CCO
InChi [?]:
InChI=1/C17H16O/c18-12-11-17-15-7-3-1-5-13(15)9-10-14-6-2-4-8-16(14)17/h1-8,11,18H,9-10,12H2
InChi Info:
AuxInfo=1/0/N:1,11,2,12,6,10,3,13,7,8,16,17,5,9,4,14,15,18/E:(1,2)(3,4)(5,6)(7,8)(9,10)(13,14)(15,16)/rA:18nCCCCCCCCCCCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;d10;s11;d12;d9s13;s4s14;d15;s16;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16O
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.04608
Area:410.984
Solvation:-2.22852
Coulombic:-20.1517
Bond Count [?]
All:20
Single:13
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:236.308
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:3.99
LogP (Chemaxon):4.22

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Descriptor Annotations

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