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Chemical ID: 6151932

Chemical ID:

6151932

Name [?]:

N'-(2-chloroacetyl)-2-(5-pyrrolidin-1-yltetrazol-2-yl)-acetohydrazide

SMILES [?]:

C1CCN(C1)c2nnn(n2)CC(=O)NNC(=O)CCl

InChi [?]:

InChI=1/C9H14ClN7O2/c10-5-7(18)11-12-8(19)6-17-14-9(13-15-17)16-3-1-2-4-16/h1-6H2,(H,11,18)(H,12,19)

InChi Info:

AuxInfo=1/1/N:1,2,5,3,18,11,16,12,6,19,15,14,7,10,8,4,9,17,13/E:(1,2)(3,4)/rA:19nCCCNCCNNNNCCONNCOCCl/rB:s1;s2;s3;s1s4;s4;s6;d7;s8;d6s9;s9;s11;d12;s12;s14;s15;d16;s16;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₉H₁₄ClN₇O₂
All Atoms:	19
Heavy Atoms:	19
Chiral Atoms:	0

ZAP Information [?]

Total:	7.34731
Area:	486.179
Solvation:	-4.80717
Coulombic:	-46.682

Bond Count [?]

All:	20
Single:	16
Double:	4
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	287.706
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	0.44
LogP (Chemaxon):	-0.32

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