Chemical ID: 4258676

c1ccc-2cccc2cc1
Chemical ID:
4258676
Name [?]:
azulene
SMILES [?]:
c1ccc-2cccc2cc1
InChi [?]:
InChI=1/C10H8/c1-2-5-9-7-4-8-10(9)6-3-1/h1-8H
InChi Info:
AuxInfo=1/0/N:1,2,10,6,3,9,5,7,4,8/E:(2,3)(5,6)(7,8)(9,10)/rA:10nCCCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s4s7;d8;d1s9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H8
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:6.28459
Area:280.714
Solvation:-0.733257
Coulombic:-3.11075
Bond Count [?]
All:11
Single:6
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:128.171
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.29
LogP (Chemaxon):3.05

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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