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Chemical ID: 4564119
Chemical ID:
4564119
Name [?]:
None
SMILES [?]:
CC1CC2(c3c(c4cc(ccc4[nH]3)OC)CCN2C1=O)C
InChi [?]:
InChI=1/C17H20N2O2/c1-10-9-17(2)15-12(6-7-19(17)16(10)20)13-8-11(21-3)4-5-14(13)18-15/h4-5,8,10,18H,6-7,9H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,21,15,10,11,16,17,8,3,2,9,6,7,12,5,19,4,13,18,20,14/rA:21cCCCCCCCCCCCCNOCCCNCOC/rB:s1;s2;s3;s4;d5;s6;s7;d8;s9;d10;d7s11;s5s12;s9;s14;s6;s16;s4s17;s2s18;d19;s4;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H20N2O2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.95251 |
Area: | 457.066 |
Solvation: | -3.47414 |
Coulombic: | -33.8416 |
Bond Count [?]
All: | 24 |
Single: | 19 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 284.353 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.89 |
LogP (Chemaxon): | 1.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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