Chemical ID: 7273739

C#CCNCC(COc1ccc(cc1)c2ccccc2)O
Chemical ID:
7273739
Name [?]:
1-(4-phenylphenoxy)-3-prop-2-ynylamino-propan-2-ol
SMILES [?]:
C#CCNCC(COc1ccc(cc1)c2ccccc2)O
InChi [?]:
InChI=1/C18H19NO2/c1-2-12-19-13-17(20)14-21-18-10-8-16(9-11-18)15-6-4-3-5-7-15/h1,3-11,17,19-20H,12-14H2
InChi Info:
AuxInfo=1/0/N:1,2,18,17,19,16,20,11,13,10,14,3,5,7,15,12,6,9,4,21,8/E:(4,5)(6,7)(8,9)(10,11)/rA:21cCCCNCCCOCCCCCCCCCCCCO/rB:t1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s12;s15;d16;s17;d18;d15s19;s6;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19NO2
All Atoms:40
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:7.91221
Area:529.915
Solvation:-5.33567
Coulombic:-36.159
Bond Count [?]
All:22
Single:15
Double:6
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:281.349
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.09
LogP (Chemaxon):3.0

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