Chemical ID: 6177183

c1cc2cccc3c2c(c1)c4cccc5c4c3ccc5
Chemical ID:
6177183
Name [?]:
perylene
SMILES [?]:
c1cc2cccc3c2c(c1)c4cccc5c4c3ccc5
InChi [?]:
InChI=1/C20H12/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17/h1-12H
InChi Info:
AuxInfo=1/0/N:1,5,13,19,2,4,14,20,10,12,6,18,3,15,9,11,7,17,8,16/E:(1,2,3,4)(5,6,7,8)(9,10,11,12)(13,14)(15,16,17,18)(19,20)/rA:20nCCCCCCCCCCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s3s7;d8;d1s9;s9;s11;d12;s13;d14;d11s15;s7s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H12
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.93195
Area:405.021
Solvation:-1.19358
Coulombic:-4.62668
Bond Count [?]
All:24
Single:14
Double:10
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:252.309
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:6.41
LogP (Chemaxon):5.37

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Descriptor Annotations

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