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Chemical ID: 4923649
Chemical ID:
4923649
Name [?]:
None
SMILES [?]:
CCC1CN2CCc3c4ccccc4[nH]c3C2CC1CCO
InChi [?]:
InChI=1/C19H26N2O/c1-2-13-12-21-9-7-16-15-5-3-4-6-17(15)20-19(16)18(21)11-14(13)8-10-22/h3-6,13-14,18,20,22H,2,7-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,11,12,10,13,7,20,6,21,18,4,3,19,9,8,14,17,16,15,5,22/rA:22cCCCCNCCCCCCCCCNCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s14;d8s15;s5s16;s17;s3s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H26N2O |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 9.64901 |
Area: | 491.694 |
Solvation: | -2.64333 |
Coulombic: | -34.384 |
Bond Count [?]
All: | 25 |
Single: | 21 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 298.423 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.06 |
LogP (Chemaxon): | 3.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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