Chemical ID: 5116729

c1ccc2c(c1)ccc3c2[nH]c-4c3CCc5c4cccc5
Chemical ID:
5116729
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)ccc3c2[nH]c-4c3CCc5c4cccc5
InChi [?]:
InChI=1/C20H15N/c1-3-7-15-13(5-1)9-11-17-18-12-10-14-6-2-4-8-16(14)20(18)21-19(15)17/h1-9,11,21H,10,12H2
InChi Info:
AuxInfo=1/0/N:1,20,2,19,6,21,3,18,7,15,8,14,5,16,4,17,9,13,10,12,11/rA:21nCCCCCCCCCCNCCCCCCCCCC/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s11;s9d12;s13;s14;s15;s12s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H15N
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.69608
Area:442.688
Solvation:-1.37112
Coulombic:-14.6434
Bond Count [?]
All:25
Single:16
Double:9
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:269.34
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:5.42
LogP (Chemaxon):5.33

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Descriptor Annotations

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