Chemical ID: 6154704

c1ccc2c(c1)C(=C(C#N)C#N)C=C(O2)c3ccc4c(c3)OCCO4
Chemical ID:
6154704
Name [?]:
2-[2-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-yl)chromen-4-ylidene]propanedinitrile
SMILES [?]:
c1ccc2c(c1)C(=C(C#N)C#N)C=C(O2)c3ccc4c(c3)OCCO4
InChi [?]:
InChI=1/C20H12N2O3/c21-11-14(12-22)16-10-19(25-17-4-2-1-3-15(16)17)13-5-6-18-20(9-13)24-8-7-23-18/h1-6,9-10H,7-8H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,17,18,24,23,21,13,9,11,16,8,5,7,4,19,14,20,10,12,25,22,15/E:(11,12)(21,22)/rA:25nCCCCCCCCCNCNCCOCCCCCCOCCO/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;t9;s8;t11;s7;d13;s4s14;s14;s16;d17;s18;d19;d16s20;s20;s22;s23;s19s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H12N2O3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.10098
Area:525.097
Solvation:-4.02643
Coulombic:-31.3848
Bond Count [?]
All:28
Single:18
Double:8
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:328.321
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.77
LogP (Chemaxon):2.2

Name Annotations

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Descriptor Annotations

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