Chemical ID: 4955316

CCCCN(CCCC)CCC(c1cc2c(c3c1cccc3)CCCC2)O
Chemical ID:
4955316
Name [?]:
3-dibutylamino-1-(1,2,3,4-tetrahydrophenanthren-9-yl)propan-1-ol
SMILES [?]:
CCCCN(CCCC)CCC(c1cc2c(c3c1cccc3)CCCC2)O
InChi [?]:
InChI=1/C25H37NO/c1-3-5-16-26(17-6-4-2)18-15-25(27)24-19-20-11-7-8-12-21(20)22-13-9-10-14-23(22)24/h9-10,13-14,19,25,27H,3-8,11-12,15-18H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,9,2,8,3,7,25,24,21,20,26,23,22,19,11,4,6,10,14,15,16,17,18,13,12,5,27/E:(1,2)(3,4)(5,6)(16,17)/rA:27cCCCCNCCCCCCCCCCCCCCCCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5;s10;s11;s12;s13;d14;s15;d16;d13s17;s18;d19;s20;s17d21;s16;s23;s24;s15s25;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H37NO
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:13.6806
Area:639.764
Solvation:-2.31346
Coulombic:-25.9847
Bond Count [?]
All:29
Single:24
Double:5
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:367.567
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.95
LogP (Chemaxon):6.25

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Descriptor Annotations

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