Chemical ID: 5026118

CC(CNC1c2ccccc2CC1O)O
Chemical ID:
5026118
Name [?]:
1-(2-hydroxypropylamino)indan-2-ol
SMILES [?]:
CC(CNC1c2ccccc2CC1O)O
InChi [?]:
InChI=1/C12H17NO2/c1-8(14)7-13-12-10-5-3-2-4-9(10)6-11(12)15/h2-5,8,11-15H,6-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,9,8,10,7,12,3,2,11,6,13,5,4,15,14/rA:15cCCCNCCCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;s5s12;s13;s2;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H17NO2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:3
ZAP Information [?]
Total:5.07653
Area:383.945
Solvation:-4.52209
Coulombic:-41.6489
Bond Count [?]
All:16
Single:13
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:207.269
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:0.99
LogP (Chemaxon):1.22

Name Annotations

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Descriptor Annotations

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