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Chemical ID: 7169210

Cc1c(cnn1CCC(=O)NCC23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]

Chemical ID:

7169210

Name [?]:

N-(1-adamantylmethyl)-3-(5-methyl-4-nitro-pyrazol-1-yl)-propanamide

SMILES [?]:

Cc1c(cnn1CCC(=O)NCC23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]

InChi [?]:

InChI=1/C18H26N4O3/c1-12-16(22(24)25)10-20-21(12)3-2-17(23)19-11-18-7-13-4-14(8-18)6-15(5-13)9-18/h10,13-15H,2-9,11H2,1H3,(H,19,23)

InChi Info:

AuxInfo=1/1/N:1,8,7,16,19,21,18,14,22,4,12,2,17,15,20,3,9,13,11,5,6,23,10,24,25/E:(4,5,6)(7,8,9)(13,14,15)(24,25)/CRV:22.5/rA:25nCCCCNNCCCONCCCCCCCCCCCN+OO-/rB:s1;d2;s3;d4;s2s5;s6;s7;s8;d9;s9;s11;s12;s13;s14;s15;s16;s13s17;s17;s19;s15s20;s13s20;s3;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₆N₄O₃
All Atoms:	51
Heavy Atoms:	25
Chiral Atoms:	None

ZAP Information [?]

Total:	6.50488
Area:	549.918
Solvation:	-7.24306
Coulombic:	-38.166

Bond Count [?]

All:	28
Single:	24
Double:	4
Rotors:	7
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.94
LogP (Chemaxon):	None

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