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Chemical ID: 6142240
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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