Chemical ID: 6142240

c1ccc(cc1)C2=CC(=C(C#N)C#N)c3ccccc3O2
Chemical ID:
6142240
Name [?]:
2-(2-phenylchromen-4-ylidene)propanedinitrile
SMILES [?]:
c1ccc(cc1)C2=CC(=C(C#N)C#N)c3ccccc3O2
InChi [?]:
InChI=1/C18H10N2O/c19-11-14(12-20)16-10-18(13-6-2-1-3-7-13)21-17-9-5-4-8-15(16)17/h1-10H
InChi Info:
AuxInfo=1/0/N:1,2,6,17,18,3,5,16,19,8,11,13,4,10,15,9,20,7,12,14,21/E:(2,3)(6,7)(11,12)(19,20)/rA:21nCCCCCCCCCCCNCNCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s10;t11;s10;t13;s9;s15;d16;s17;d18;d15s19;s7s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H10N2O
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.4143
Area:468.664
Solvation:-2.30231
Coulombic:-16.7471
Bond Count [?]
All:23
Single:13
Double:8
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:270.285
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.15
LogP (Chemaxon):2.88

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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