Chemical ID: 7260551

CCCC(C)NC(=O)c1c(c2ccc3ccccc3c2o1)C
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

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Experimental Annotations

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Descriptor Annotations

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