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Chemical ID: 5051535
Chemical ID:
5051535
Name [?]:
None
SMILES [?]:
CCOC(=O)C1=C(c2ccccc2CC13CCCCC3)N
InChi [?]:
InChI=1/C18H23NO2/c1-2-21-17(20)15-16(19)14-9-5-4-8-13(14)12-18(15)10-6-3-7-11-18/h4-5,8-9H,2-3,6-7,10-12,19H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,18,11,10,17,19,12,9,16,20,14,13,8,6,7,4,15,21,5,3/E:(6,7)(10,11)/rA:21nCCOCOCCCCCCCCCCCCCCCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;d11;d8s12;s13;s6s14;s15;s16;s17;s18;s15s19;s7;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H23NO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.9369 |
Area: | 464.626 |
Solvation: | -1.67874 |
Coulombic: | -38.6761 |
Bond Count [?]
All: | 23 |
Single: | 18 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 285.381 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 4.9 |
LogP (Chemaxon): | 2.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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