Chemical ID: 6497414

COc1ccc2c(c1)OC(=C(C2c3ccccc3)C#N)N
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

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Descriptor Annotations

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