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Chemical ID: 5017982
Chemical ID:
5017982
Name [?]:
1-dibutylamino-2-phenyl-propan-2-ol
SMILES [?]:
CCCCN(CCCC)CC(C)(c1ccccc1)O
InChi [?]:
InChI=1/C17H29NO/c1-4-6-13-18(14-7-5-2)15-17(3,19)16-11-9-8-10-12-16/h8-12,19H,4-7,13-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,9,12,2,8,3,7,16,15,17,14,18,4,6,10,13,11,5,19/E:(1,2)(4,5)(6,7)(9,10)(11,12)(13,14)/rA:19cCCCCNCCCCCCCCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5;s10;s11;s11;s13;d14;s15;d16;d13s17;s11;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H29NO |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.732 |
Area: | 505.437 |
Solvation: | -1.90391 |
Coulombic: | -25.7046 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 263.418 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.98 |
LogP (Chemaxon): | 4.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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