Chemical ID: 4774236

c1ccc2c(c1)C3C=CC2C=C3
Chemical ID:
4774236
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)C3C=CC2C=C3
InChi [?]:
InChI=1/C12H10/c1-2-4-12-10-7-5-9(6-8-10)11(12)3-1/h1-10H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,8,12,9,11,7,10,5,4/E:(1,2)(3,4)(5,6,7,8)(9,10)(11,12)/rA:12nCCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s4s9;s10;s7d11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H10
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.7959
Area:300.586
Solvation:-0.718751
Coulombic:-3.84856
Bond Count [?]
All:14
Single:9
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:154.208
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:4.07
LogP (Chemaxon):2.91

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Descriptor Annotations

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