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Chemical ID: 4936343
Chemical ID:
4936343
Name [?]:
2-imino-4,6,7-trimethyl-chromene-3-carbonitrile
SMILES [?]:
Cc1cc2c(c(c(=N)oc2cc1C)C#N)C
InChi [?]:
InChI=1/C13H12N2O/c1-7-4-10-9(3)11(6-14)13(15)16-12(10)5-8(7)2/h4-5,15H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,13,16,3,11,14,2,12,5,4,6,10,7,15,8,9/rA:16nCCCCCCCNOCCCCCNC/rB:s1;s2;d3;s4;d5;s6;w7;s7;s4s9;d10;d2s11;s12;s6;t14;s5;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H12N2O |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.10405 |
Area: | 390.73 |
Solvation: | -1.6642 |
Coulombic: | -24.2299 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 5 |
Rotors: | 0 |
Chiral: | 1 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 212.247 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.05 |
LogP (Chemaxon): | 3.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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