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Chemical ID: 7260551
Chemical ID:
7260551
Name [?]:
None
SMILES [?]:
CCCC(C)NC(=O)c1c(c2ccc3ccccc3c2o1)C
InChi [?]:
InChI=1/C19H21NO2/c1-4-7-12(2)20-19(21)17-13(3)15-11-10-14-8-5-6-9-16(14)18(15)22-17/h5-6,8-12H,4,7H2,1-3H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,5,22,2,16,17,3,15,18,13,12,4,10,14,11,19,9,20,7,6,8,21/rA:22cCCCCCNCOCCCCCCCCCCCCOC/rB:s1;s2;s3;s4;s4;s6;d7;s7;d9;s10;s11;d12;s13;s14;d15;s16;d17;d14s18;d11s19;s9s20;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H21NO2 |
All Atoms: | 43 |
Heavy Atoms: | 22 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.1581 |
Area: | 510.525 |
Solvation: | -1.60504 |
Coulombic: | -34.2344 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 295.376 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.7 |
LogP (Chemaxon): | 4.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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