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Chemical ID: 4255007

Chemical ID:

4255007

Name [?]:

2-[(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)amino]ethanol

SMILES [?]:

c1cc2c(cc1Br)c3c([nH]2)C(CCC3)NCCO

InChi [?]:

InChI=1/C14H17BrN2O/c15-9-4-5-12-11(8-9)10-2-1-3-13(14(10)17-12)16-6-7-18/h4-5,8,13,16-18H,1-3,6-7H2

InChi Info:

AuxInfo=1/0/N:13,14,12,1,2,16,17,5,6,8,4,3,11,9,7,15,10,18/rA:18cCCCCCCBrCCNCCCCNCCO/rB:s1;d2;s3;d4;d1s5;s6;s4;d8;s3s9;s9;s11;s12;s8s13;s11;s15;s16;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₇BrN₂O
All Atoms:	18
Heavy Atoms:	18
Chiral Atoms:	1

ZAP Information [?]

Total:	8.04068
Area:	446.256
Solvation:	-3.11571
Coulombic:	-36.2075

Bond Count [?]

All:	20
Single:	16
Double:	4
Rotors:	3
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	309.202
H-Bond Donors:	2
H-Bond Acceptors:	2
XLogP:	2.37
LogP (Chemaxon):	2.93

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value