Chemical ID: 5371755

CC1CC(=NNC(=O)c2ccc(cc2)[N+](=O)[O-])CC(C1)(C)C
Chemical ID:
5371755
Name [?]:
4-nitro-N-(3,3,5-trimethylcyclohexylidene)amino-benzamide
SMILES [?]:
CC1CC(=NNC(=O)c2ccc(cc2)[N+](=O)[O-])CC(C1)(C)C
InChi [?]:
InChI=1/C16H21N3O3/c1-11-8-13(10-16(2,3)9-11)17-18-15(20)12-4-6-14(7-5-12)19(21)22/h4-7,11H,8-10H2,1-3H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,21,22,10,14,11,13,3,20,18,2,9,4,12,7,19,5,6,15,8,16,17/E:(2,3)(4,5)(6,7)(21,22)/CRV:19.5/rA:22cCCCCNNCOCCCCCCN+OO-CCCCC/rB:s1;s2;s3;w4;s5;s6;d7;s7;s9;d10;s11;d12;d9s13;s12;d15;s15;s4;s18;s2s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H21N3O3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:4.26751
Area:518.608
Solvation:-8.69768
Coulombic:-30.6356
Bond Count [?]
All:23
Single:17
Double:6
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:303.356
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.59
LogP (Chemaxon):4.1

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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