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Chemical ID: 6337850
Chemical ID:
6337850
Name [?]:
2-cyano-N-cyclopropyl-3-(2-methyl-1H-indol-3-yl)-prop-2-enamide
SMILES [?]:
Cc1c(c2ccccc2[nH]1)C=C(C#N)C(=O)NC3CC3
InChi [?]:
InChI=1/C16H15N3O/c1-10-14(13-4-2-3-5-15(13)18-10)8-11(9-17)16(20)19-12-6-7-12/h2-5,8,12,18H,6-7H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,6,7,5,8,19,20,11,13,2,12,18,4,3,9,15,14,10,17,16/E:(6,7)/rA:20nCCCCCCCCCNCCCNCONCCC/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s2s9;s3;w11;s12;t13;s12;d15;s15;s17;s18;s18s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15N3O |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.59152 |
Area: | 472.643 |
Solvation: | -2.22456 |
Coulombic: | -36.2884 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 265.31 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.2 |
LogP (Chemaxon): | 2.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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