Chemical ID: 4936343

Cc1cc2c(c(c(=N)oc2cc1C)C#N)C
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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Descriptor Annotations

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