Chemical ID: 3968465

CCCN(CCC)C1CCc2c(ccc(c2C1)O)F
Chemical ID:
3968465
Name [?]:
7-dipropylamino-4-fluoro-tetralin-1-ol
SMILES [?]:
CCCN(CCC)C1CCc2c(ccc(c2C1)O)F
InChi [?]:
InChI=1/C16H24FNO/c1-3-9-18(10-4-2)12-5-6-13-14(11-12)16(19)8-7-15(13)17/h7-8,12,19H,3-6,9-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,7,2,6,9,10,13,14,3,5,17,8,11,16,12,15,19,4,18/E:(1,2)(3,4)(9,10)/rA:19cCCCNCCCCCCCCCCCCCOF/rB:s1;s2;s3;s4;s5;s6;s4;s8;s9;s10;s11;d12;s13;d14;d11s15;s8s16;s15;s12;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H24FNO
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:9.04864
Area:463.509
Solvation:-2.53907
Coulombic:-26.0742
Bond Count [?]
All:20
Single:17
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:265.366
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.49
LogP (Chemaxon):3.01

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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