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Chemical ID: 5619056
Chemical ID:
5619056
Name [?]:
2-(3-cyanophenyl)imino-N-phenyl-chromene-3-carboxamide
SMILES [?]:
c1ccc(cc1)NC(=O)c2cc3ccccc3oc2=Nc4cccc(c4)C#N
InChi [?]:
InChI=1/C23H15N3O2/c24-15-16-7-6-11-19(13-16)26-23-20(14-17-8-4-5-12-21(17)28-23)22(27)25-18-9-2-1-3-10-18/h1-14H,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,2,6,14,15,23,24,13,3,5,22,16,26,11,27,25,12,4,21,10,17,8,19,28,7,20,9,18/E:(2,3)(9,10)/rA:28nCCCCCCNCOCCCCCCCCOCNCCCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;d10;s11;s12;d13;s14;d15;d12s16;s17;s10s18;w19;s20;s21;d22;s23;d24;d21s25;s25;t27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H15N3O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.91169 |
Area: | 520.706 |
Solvation: | -3.10595 |
Coulombic: | -40.9405 |
Bond Count [?]
All: | 31 |
Single: | 18 |
Double: | 12 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 365.384 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.04 |
LogP (Chemaxon): | 5.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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