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Chemical ID: 3963955
Chemical ID:
3963955
Name [?]:
7-dipropylaminotetralin-2-ol
SMILES [?]:
CCCN(CCC)C1CCc2ccc(cc2C1)O
InChi [?]:
InChI=1/C16H25NO/c1-3-9-17(10-4-2)15-7-5-13-6-8-16(18)12-14(13)11-15/h6,8,12,15,18H,3-5,7,9-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,7,2,6,10,12,9,13,3,5,17,15,11,16,8,14,4,18/E:(1,2)(3,4)(9,10)/rA:18cCCCNCCCCCCCCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s4;s8;s9;s10;s11;d12;s13;d14;d11s15;s8s16;s14;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H25NO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.65291 |
Area: | 460.147 |
Solvation: | -1.85078 |
Coulombic: | -22.9186 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 247.376 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.33 |
LogP (Chemaxon): | 2.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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