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Chemical ID: 6497414
Chemical ID:
6497414
Name [?]:
2-amino-7-methoxy-4-phenyl-4H-chromene-3-carbonitrile
SMILES [?]:
COc1ccc2c(c1)OC(=C(C2c3ccccc3)C#N)N
InChi [?]:
InChI=1/C17H14N2O2/c1-20-12-7-8-13-15(9-12)21-17(19)14(10-18)16(13)11-5-3-2-4-6-11/h2-9,16H,19H2,1H3
InChi Info:
AuxInfo=1/0/N:1,16,15,17,14,18,4,5,8,19,13,3,6,11,7,12,10,20,21,2,9/E:(3,4)(5,6)/rA:21cCOCCCCCCOCCCCCCCCCCNN/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s6s11;s12;s13;d14;s15;d16;d13s17;s11;t19;s10;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14N2O2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.10318 |
Area: | 458.034 |
Solvation: | -3.34767 |
Coulombic: | -36.2048 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 7 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 278.305 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.21 |
LogP (Chemaxon): | 2.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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