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Chemical ID: 7427268

Chemical ID:

7427268

Name [?]:

(5-chloro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)-methanone

SMILES [?]:

CN1CCN(CC1)C(=O)c2cc3cc(ccc3[nH]2)Cl

InChi [?]:

InChI=1/C14H16ClN3O/c1-17-4-6-18(7-5-17)14(19)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3

InChi Info:

AuxInfo=1/0/N:1,15,16,3,7,4,6,13,11,12,14,17,10,8,19,18,2,5,9/E:(4,5)(6,7)/rA:19nCNCCNCCCOCCCCCCCCNCl/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;s8;d10;s11;s12;d13;s14;d15;d12s16;s10s17;s14;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₆ClN₃O
All Atoms:	35
Heavy Atoms:	19
Chiral Atoms:	0

ZAP Information [?]

Total:	9.23556
Area:	454.393
Solvation:	-2.12427
Coulombic:	-34.5711

Bond Count [?]

All:	21
Single:	16
Double:	5
Rotors:	2
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	277.749
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	2.0
LogP (Chemaxon):	1.68

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value