Chemical ID: 6420143

c1ccc2c(c1)C(=CC2=Cc3ccncc3)C(c4ccncc4)O
Chemical ID:
6420143
Name [?]:
4-pyridyl-[3-(4-pyridylmethylene)inden-1-yl]-methanol
SMILES [?]:
c1ccc2c(c1)C(=CC2=Cc3ccncc3)C(c4ccncc4)O
InChi [?]:
InChI=1/C21H16N2O/c24-21(16-7-11-23-12-8-16)20-14-17(13-15-5-9-22-10-6-15)18-3-1-2-4-19(18)20/h1-14,21,24H
InChi Info:
AuxInfo=1/0/N:2,1,3,6,12,16,19,23,13,15,20,22,10,8,11,18,9,4,5,7,17,14,21,24/E:(5,6)(7,8)(9,10)(11,12)/rA:24cCCCCCCCCCCCCCNCCCCCCNCCO/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;w9;s10;s11;d12;s13;d14;d11s15;s7;s17;s18;d19;s20;d21;d18s22;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H16N2O
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:8.89917
Area:503.175
Solvation:-3.6802
Coulombic:-28.3326
Bond Count [?]
All:27
Single:16
Double:11
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:312.365
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:2.94
LogP (Chemaxon):2.49

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Descriptor Annotations

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