ChemicalDetail: Details for an Individual Chemical

Download

Chemical ID: 4812767

Chemical ID:

4812767

Name [?]:

1-carbazol-9-yl-3-cyclohexylamino-propan-2-ol

SMILES [?]:

c1ccc2c(c1)c3ccccc3n2CC(CNC4CCCCC4)O

InChi [?]:

InChI=1/C21H26N2O/c24-17(14-22-16-8-2-1-3-9-16)15-23-20-12-6-4-10-18(20)19-11-5-7-13-21(19)23/h4-7,10-13,16-17,22,24H,1-3,8-9,14-15H2

InChi Info:

AuxInfo=1/0/N:21,20,22,1,9,2,10,19,23,6,8,3,11,16,14,18,15,5,7,4,12,17,13,24/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(18,19)(20,21)/rA:24cCCCCCCCCCCCCNCCCNCCCCCCO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;d7s11;s4s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;s18s22;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₆N₂O
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	1

ZAP Information [?]

Total:	10.0001
Area:	541.154
Solvation:	-3.52872
Coulombic:	-33.6039

Bond Count [?]

All:	27
Single:	21
Double:	6
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	322.444
H-Bond Donors:	2
H-Bond Acceptors:	2
XLogP:	4.6
LogP (Chemaxon):	4.92

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value